CID 3008073

1-(3-hexadecyl-2-methyl-1h-imidazol-3-ium-4-yl)ethanol

Structural Information

Molecular Formula
C22H43N2O
SMILES
CCCCCCCCCCCCCCCC[N+]1=C(NC=C1C(C)O)C
InChI
InChI=1S/C22H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(3)23-19-22(24)20(2)25/h19-20,25H,4-18H2,1-3H3/p+1
InChIKey
DJGFZBVSIWJHJZ-UHFFFAOYSA-O
Compound name
1-(3-hexadecyl-2-methyl-1H-imidazol-3-ium-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.33752 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.34480 198.5
[M+Na]+ 374.32674 200.9
[M-H]- 350.33024 195.0
[M+NH4]+ 369.37134 209.6
[M+K]+ 390.30068 189.6
[M+H-H2O]+ 334.33478 192.5
[M+HCOO]- 396.33572 212.8
[M+CH3COO]- 410.35137 208.7
[M+Na-2H]- 372.31219 196.4
[M]+ 351.33697 201.3
[M]- 351.33807 201.3
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

No patent data available for this compound.