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 188.6
[M+Na]+ 349.29512 190.1
[M-H]- 325.29862 187.0
[M+NH4]+ 344.33972 202.7
[M+K]+ 365.26906 181.1
[M+H-H2O]+ 309.30316 184.9
[M+HCOO]- 371.30410 206.8
[M+CH3COO]- 385.31975 209.8
[M+Na-2H]- 347.28057 190.6
[M]+ 326.30535 193.0
[M]- 326.30645 193.0
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.