CID 156908007

9-hexadecenoylcholine

Structural Information

Molecular Formula
C21H42NO2
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C21H42NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22(2,3)4/h10-11H,5-9,12-20H2,1-4H3/q+1/b11-10-
InChIKey
KZSMYKYPFGHWQV-KHPPLWFESA-N
Compound name
2-[(Z)-hexadec-9-enoyl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.32156 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.32884 190.7
[M+Na]+ 363.31078 199.4
[M+NH4]+ 358.35538 196.9
[M+K]+ 379.28472 192.2
[M-H]- 339.31428 191.1
[M+Na-2H]- 361.29623 192.0
[M]+ 340.32101 192.2
[M]- 340.32211 192.2
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.