CID 21753394

Behenamidopropyl betaine

Structural Information

Molecular Formula
C29H59N2O3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C29H58N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(32)30-25-23-26-31(2,3)27-29(33)34/h4-27H2,1-3H3,(H-,30,32,33,34)/p+1
InChIKey
MNXZLMCTNGNXNX-UHFFFAOYSA-O
Compound name
carboxymethyl-[3-(docosanoylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

956
Patents

483.45258 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.45986 248.2
[M+Na]+ 506.44180 255.6
[M-H]- 482.44530 241.1
[M+NH4]+ 501.48640 248.1
[M+K]+ 522.41574 251.8
[M+H-H2O]+ 466.44984 240.6
[M+HCOO]- 528.45078 256.3
[M+CH3COO]- 542.46643 243.6
[M+Na-2H]- 504.42725 233.6
[M]+ 483.45203 244.2
[M]- 483.45313 244.2
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

No patent data available for this compound.