CID 102920

3001-63-6

Structural Information

Molecular Formula
C23H49ClNO
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CCl)O
InChI
InChI=1S/C23H49ClNO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(2,3)22-23(26)21-24/h23,26H,4-22H2,1-3H3/q+1
InChIKey
XERREUIGCGXTDG-UHFFFAOYSA-N
Compound name
(3-chloro-2-hydroxypropyl)-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

563
Patents

390.35028 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.35756 208.3
[M+Na]+ 413.33950 208.5
[M-H]- 389.34300 205.7
[M+NH4]+ 408.38410 220.7
[M+K]+ 429.31344 197.3
[M+H-H2O]+ 373.34754 204.7
[M+HCOO]- 435.34848 220.3
[M+CH3COO]- 449.36413 223.2
[M+Na-2H]- 411.32495 207.9
[M]+ 390.34973 215.6
[M]- 390.35083 215.6
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