CID 3061230

4-(2'-methylbenzyl)imidazole hydrochloride

Structural Information

Molecular Formula
C11H12N2
SMILES
CC1=CC=CC=C1CC2=CN=CN2
InChI
InChI=1S/C11H12N2/c1-9-4-2-3-5-10(9)6-11-7-12-8-13-11/h2-5,7-8H,6H2,1H3,(H,12,13)
InChIKey
ZNZBCEFJSNGEIV-UHFFFAOYSA-N
Compound name
5-[(2-methylphenyl)methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

172.10005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 136.6
[M+Na]+ 195.08927 145.1
[M-H]- 171.09277 139.5
[M+NH4]+ 190.13387 155.3
[M+K]+ 211.06321 140.9
[M+H-H2O]+ 155.09731 128.8
[M+HCOO]- 217.09825 158.7
[M+CH3COO]- 231.11390 149.6
[M+Na-2H]- 193.07472 142.5
[M]+ 172.09950 135.0
[M]- 172.10060 135.0
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

patents stripe