PubChemLite - N-[3-(dimethylamino)propyl]-perfluoroundecanamide (C16H13F21N2O)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNC(=O)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

InChI

InChI=1S/C16H13F21N2O/c1-39(2)5-3-4-38-6(40)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h3-5H2,1-2H3,(H,38,40)

InChIKey

OCNPDUCQWGCJRQ-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanamide

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]+	649.07658	197.8
[M+Na]+	671.05852	205.0
[M-H]-	647.06202	211.3
[M+NH4]+	666.10312	210.8
[M+K]+	687.03246	216.3
[M+H-H2O]+	631.06656	185.5
[M+HCOO]-	693.06750	211.5
[M+CH3COO]-	707.08315	265.2
[M+Na-2H]-	669.04397	197.5
[M]+	648.06875	193.3
[M]-	648.06985	193.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

649.07658

197.8

[M+Na]+

671.05852

205.0

[M-H]-

647.06202

211.3

[M+NH4]+

666.10312

210.8

[M+K]+

687.03246

216.3

[M+H-H2O]+

631.06656

185.5

[M+HCOO]-

693.06750

211.5

[M+CH3COO]-

707.08315

265.2

[M+Na-2H]-

669.04397

197.5

[M]+

648.06875

193.3

[M]-

648.06985

193.3

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

N-[3-(dimethylamino)propyl]-perfluoroundecanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe