CID 2773235

1-benzyl-5-hydroxymethyl-1h-imidazole

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1=CC=C(C=C1)CN2C=NC=C2CO
InChI
InChI=1S/C11H12N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChIKey
GQZILHANXWXTIW-UHFFFAOYSA-N
Compound name
(3-benzylimidazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

230
Patents

188.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 139.8
[M+Na]+ 211.08418 148.2
[M-H]- 187.08768 142.7
[M+NH4]+ 206.12878 157.8
[M+K]+ 227.05812 144.6
[M+H-H2O]+ 171.09222 131.8
[M+HCOO]- 233.09316 162.1
[M+CH3COO]- 247.10881 178.8
[M+Na-2H]- 209.06963 145.7
[M]+ 188.09441 139.6
[M]- 188.09551 139.6
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

patents stripe