CID 3008072

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

Structural Information

Molecular Formula
C20H39N2O
SMILES
CCCCCCCCCCCCCC[N+]1=C(NC=C1C(C)O)C
InChI
InChI=1S/C20H38N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19(3)21-17-20(22)18(2)23/h17-18,23H,4-16H2,1-3H3/p+1
InChIKey
NUAGGXRRERUXDC-UHFFFAOYSA-O
Compound name
1-(2-methyl-3-tetradecyl-1H-imidazol-3-ium-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.30624 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.31352 189.6
[M+Na]+ 346.29546 192.8
[M-H]- 322.29896 186.5
[M+NH4]+ 341.34006 201.9
[M+K]+ 362.26940 182.1
[M+H-H2O]+ 306.30350 184.0
[M+HCOO]- 368.30444 204.5
[M+CH3COO]- 382.32009 202.8
[M+Na-2H]- 344.28091 188.5
[M]+ 323.30569 191.6
[M]- 323.30679 191.6
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.