N-betaine propyl perfluorododecane amide (C19H16F23N2O3)

Structural Information

Molecular Formula

SMILES

C[N+](C)(CCCNC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O

InChI

InChI=1S/C19H15F23N2O3/c1-44(2,6-7(45)46)5-3-4-43-8(47)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)18(38,39)19(40,41)42/h3-6H2,1-2H3,(H-,43,45,46,47)/p+1

InChIKey

WLNBQAVMIDCSHA-UHFFFAOYSA-O

Compound name

carboxymethyl-dimethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoylamino)propyl]azanium

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	758.086626	228.9
[M+Na]+	780.068568	232.7
[M-H]-	756.072074	245.5
[M+NH4]+	775.113173	242.0
[M+K]+	796.042508	245.2
[M+H-H2O]+	740.076610	210.8
[M+HCOO]-	802.077551	242.8
[M+CH3COO]-	816.093201	268.3
[M+Na-2H]-	778.054016	226.1
[M]+	757.07880142	223.7
[M]-	757.07989858	223.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

758.086626

228.9

[M+Na]+

780.068568

232.7

[M-H]-

756.072074

245.5

[M+NH4]+

775.113173

242.0

[M+K]+

796.042508

245.2

[M+H-H2O]+

740.076610

210.8

[M+HCOO]-

802.077551

242.8

[M+CH3COO]-

816.093201

268.3

[M+Na-2H]-

778.054016

226.1

[M]+

757.07880142

223.7

[M]-

757.07989858

223.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-betaine propyl perfluorododecane amide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe