CID 103110

1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt

Structural Information

Molecular Formula
C21H44NO2
SMILES
CCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C21H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,3)20-21(23)24/h4-20H2,1-3H3/p+1
InChIKey
DPKSVOCGPSFPPK-UHFFFAOYSA-O
Compound name
carboxymethyl-heptadecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.33722 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.34450 194.6
[M+Na]+ 365.32644 195.3
[M-H]- 341.32994 192.7
[M+NH4]+ 360.37104 210.2
[M+K]+ 381.30038 186.6
[M+H-H2O]+ 325.33448 190.5
[M+HCOO]- 387.33542 226.4
[M+CH3COO]- 401.35107 214.5
[M+Na-2H]- 363.31189 196.0
[M]+ 342.33667 200.1
[M]- 342.33777 200.1
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.