CID 109315

[2-hydroxy-3-(tridecyloxy)propyl]trimethylammonium chloride

Structural Information

Molecular Formula
C19H42NO2
SMILES
CCCCCCCCCCCCCOCC(C[N+](C)(C)C)O
InChI
InChI=1S/C19H42NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20(2,3)4/h19,21H,5-18H2,1-4H3/q+1
InChIKey
LDGWAIFVWDLYCF-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-tridecoxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

316.32156 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.32884 187.1
[M+Na]+ 339.31078 188.3
[M-H]- 315.31428 185.5
[M+NH4]+ 334.35538 201.7
[M+K]+ 355.28472 180.7
[M+H-H2O]+ 299.31882 183.3
[M+HCOO]- 361.31976 205.2
[M+CH3COO]- 375.33541 209.6
[M+Na-2H]- 337.29623 189.5
[M]+ 316.32101 192.5
[M]- 316.32211 192.5
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