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

1867
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 179.2
[M+Na]+ 338.25399 186.0
[M+NH4]+ 333.29859 184.4
[M+K]+ 354.22793 181.9
[M-H]- 314.25749 178.7
[M+Na-2H]- 336.23944 179.8
[M]+ 315.26422 179.9
[M]- 315.26532 179.9
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