CID 3008074

1-(3-dodecyl-1h-imidazol-3-ium-2-yl)ethanol

Structural Information

Molecular Formula
C17H33N2O
SMILES
CCCCCCCCCCCC[N+]1=C(NC=C1)C(C)O
InChI
InChI=1S/C17H32N2O/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-18-17(19)16(2)20/h13,15-16,20H,3-12,14H2,1-2H3/p+1
InChIKey
KIRKGCMCHOSQPL-UHFFFAOYSA-O
Compound name
1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.25928 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.26656 176.4
[M+Na]+ 304.24850 180.0
[M-H]- 280.25200 173.5
[M+NH4]+ 299.29310 190.1
[M+K]+ 320.22244 170.0
[M+H-H2O]+ 264.25654 171.0
[M+HCOO]- 326.25748 192.3
[M+CH3COO]- 340.27313 192.8
[M+Na-2H]- 302.23395 177.5
[M]+ 281.25873 177.0
[M]- 281.25983 177.0
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.