CID 173218

Capramidopropyl betaine

Structural Information

Molecular Formula
C17H35N2O3
SMILES
CCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C17H34N2O3/c1-4-5-6-7-8-9-10-12-16(20)18-13-11-14-19(2,3)15-17(21)22/h4-15H2,1-3H3,(H-,18,20,21,22)/p+1
InChIKey
FPVJYHHGNGJAPC-UHFFFAOYSA-O
Compound name
carboxymethyl-[3-(decanoylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1871
Patents

315.26477 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.27205 180.6
[M+Na]+ 338.25399 182.0
[M-H]- 314.25749 179.4
[M+NH4]+ 333.29859 204.6
[M+K]+ 354.22793 174.8
[M+H-H2O]+ 298.26203 176.7
[M+HCOO]- 360.26297 200.0
[M+CH3COO]- 374.27862 208.2
[M+Na-2H]- 336.23944 183.5
[M]+ 315.26422 183.6
[M]- 315.26532 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe