CID 91344

Lauroylcholine chloride

Structural Information

Molecular Formula
C17H36NO2
SMILES
CCCCCCCCCCCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C17H36NO2/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4/h5-16H2,1-4H3/q+1
InChIKey
QUDMPGCGJQLFPF-UHFFFAOYSA-N
Compound name
2-dodecanoyloxyethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

772
Patents

286.2746 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.28188 173.9
[M+Na]+ 309.26382 183.3
[M+NH4]+ 304.30842 181.0
[M+K]+ 325.23776 177.1
[M-H]- 285.26732 174.7
[M+Na-2H]- 307.24927 176.3
[M]+ 286.27405 175.7
[M]- 286.27515 175.7
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