CID 3021063

85938-56-3

Structural Information

Molecular Formula

C₁₁H₉F₁₅N₂O

SMILES

C(CN)CNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11H9F15N2O/c12-5(13,4(29)28-3-1-2-27)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h1-3,27H2,(H,28,29)

InChIKey

YIQVOMZDSOSAQY-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2
Patents: 470.04755 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

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]+	471.054826	164.6
[M+Na]+	493.036768	173.2
[M-H]-	469.040274	173.3
[M+NH4]+	488.081373	171.2
[M+K]+	509.010708	177.6
[M+H-H2O]+	453.044810	153.8
[M+HCOO]-	515.045751	180.1
[M+CH3COO]-	529.061401	236.7
[M+Na-2H]-	491.022216	163.3
[M]+	470.04700142	158.3
[M]-	470.04809858	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe