CID 173220

Caprylamidopropyl betaine

Structural Information

Molecular Formula
C15H31N2O3
SMILES
CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C15H30N2O3/c1-4-5-6-7-8-10-14(18)16-11-9-12-17(2,3)13-15(19)20/h4-13H2,1-3H3,(H-,16,18,19,20)/p+1
InChIKey
SUZKAIPUWCLPCH-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(octanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1778
Patents

287.23346 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.24074 170.5
[M+Na]+ 310.22268 177.7
[M+NH4]+ 305.26728 176.1
[M+K]+ 326.19662 174.1
[M-H]- 286.22618 170.1
[M+Na-2H]- 308.20813 171.6
[M]+ 287.23291 171.3
[M]- 287.23401 171.3
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