CID 103091

Dtxsid9070163

Structural Information

Molecular Formula
C20H40NO2
SMILES
CCCCCCCCCCCCCCC=C[N+](C)(C)CC(=O)O
InChI
InChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20(22)23/h17-18H,4-16,19H2,1-3H3/p+1
InChIKey
QXEIANCKXCCTMW-UHFFFAOYSA-O
Compound name
carboxymethyl-hexadec-1-enyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.3059 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.31318 186.4
[M+Na]+ 349.29512 194.7
[M+NH4]+ 344.33972 192.4
[M+K]+ 365.26906 188.1
[M-H]- 325.29862 186.3
[M+Na-2H]- 347.28057 187.3
[M]+ 326.30535 187.6
[M]- 326.30645 187.6
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.