CID 100998

Myristamidopropyl betaine

Structural Information

Molecular Formula
C21H43N2O3
SMILES
CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C21H42N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-20(24)22-17-15-18-23(2,3)19-21(25)26/h4-19H2,1-3H3,(H-,22,24,25,26)/p+1
InChIKey
QGCUAFIULMNFPJ-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2416
Patents

371.32736 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.33464 198.7
[M+Na]+ 394.31658 198.5
[M-H]- 370.32008 215.1
[M+NH4]+ 389.36118 219.4
[M+K]+ 410.29052 190.3
[M+H-H2O]+ 354.32462 194.1
[M+HCOO]- 416.32556 230.5
[M+CH3COO]- 430.34121 220.1
[M+Na-2H]- 392.30203 199.6
[M]+ 371.32681 216.3
[M]- 371.32791 216.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe