CID 14762092

Lauroyl pg-trimonium chloride

Structural Information

Molecular Formula
C18H38NO3
SMILES
CCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)O
InChI
InChI=1S/C18H38NO3/c1-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19(2,3)4/h17,20H,5-16H2,1-4H3/q+1
InChIKey
CXNYYAVUUJVJFD-UHFFFAOYSA-N
Compound name
(3-dodecanoyloxy-2-hydroxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

33
Patents

316.28516 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.29244 184.2
[M+Na]+ 339.27438 185.9
[M-H]- 315.27788 182.9
[M+NH4]+ 334.31898 198.6
[M+K]+ 355.24832 179.0
[M+H-H2O]+ 299.28242 180.6
[M+HCOO]- 361.28336 202.1
[M+CH3COO]- 375.29901 207.4
[M+Na-2H]- 337.25983 186.1
[M]+ 316.28461 189.2
[M]- 316.28571 189.2
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

patents stripe