CID 14763

1301-19-5

Structural Information

Molecular Formula
C19H37N2O
SMILES
CCCCCCCCCCCCC[N+]1=CC=NC1(C)CCO
InChI
InChI=1S/C19H37N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-17-15-20-19(21,2)14-18-22/h15,17,22H,3-14,16,18H2,1-2H3/q+1
InChIKey
PQRUCTCAWVGOII-UHFFFAOYSA-N
Compound name
2-(2-methyl-1-tridecylimidazol-1-ium-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2906 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.29788 182.4
[M+Na]+ 332.27982 186.7
[M-H]- 308.28332 180.7
[M+NH4]+ 327.32442 197.7
[M+K]+ 348.25376 176.9
[M+H-H2O]+ 292.28786 177.1
[M+HCOO]- 354.28880 200.2
[M+CH3COO]- 368.30445 200.2
[M+Na-2H]- 330.26527 185.4
[M]+ 309.29005 186.5
[M]- 309.29115 186.5
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

No patent data available for this compound.