CID 13011243

(2-benzyl-1h-imidazol-4-yl)methanol

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1=CC=C(C=C1)CC2=NC=C(N2)CO
InChI
InChI=1S/C11H12N2O/c14-8-10-7-12-11(13-10)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2,(H,12,13)
InChIKey
XMKYXMNRMGDDGL-UHFFFAOYSA-N
Compound name
(2-benzyl-1H-imidazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

188.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 140.3
[M+Na]+ 211.08418 148.2
[M-H]- 187.08768 141.8
[M+NH4]+ 206.12878 157.6
[M+K]+ 227.05812 143.7
[M+H-H2O]+ 171.09222 132.6
[M+HCOO]- 233.09316 161.1
[M+CH3COO]- 247.10881 152.5
[M+Na-2H]- 209.06963 145.8
[M]+ 188.09441 138.2
[M]- 188.09551 138.2
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