CID 170068

38550-83-3

Structural Information

Molecular Formula
C24H47N2O
SMILES
CCCCCCCCCCCCCCCCCC1=[N+](C=CN1CC)CCO
InChI
InChI=1S/C24H47N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27/h20-21,27H,3-19,22-23H2,1-2H3/q+1
InChIKey
JHFRIGHCRWTHLG-UHFFFAOYSA-N
Compound name
2-(3-ethyl-2-heptadecylimidazol-1-ium-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.36884 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.37612 206.8
[M+Na]+ 402.35806 209.0
[M-H]- 378.36156 204.1
[M+NH4]+ 397.40266 217.5
[M+K]+ 418.33200 197.6
[M+H-H2O]+ 362.36610 199.9
[M+HCOO]- 424.36704 222.8
[M+CH3COO]- 438.38269 216.6
[M+Na-2H]- 400.34351 205.2
[M]+ 379.36829 212.8
[M]- 379.36939 212.8
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.