CID 3061233

78892-47-4

Structural Information

Molecular Formula
C11H12N2
SMILES
CC1=CC(=CC=C1)CC2=CN=CN2
InChI
InChI=1S/C11H12N2/c1-9-3-2-4-10(5-9)6-11-7-12-8-13-11/h2-5,7-8H,6H2,1H3,(H,12,13)
InChIKey
SSXNHDVBINJCKY-UHFFFAOYSA-N
Compound name
5-[(3-methylphenyl)methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

172.10005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 136.6
[M+Na]+ 195.089268 145.1
[M-H]- 171.092774 139.5
[M+NH4]+ 190.133873 155.3
[M+K]+ 211.063208 140.9
[M+H-H2O]+ 155.097310 128.8
[M+HCOO]- 217.098251 158.7
[M+CH3COO]- 231.113901 149.6
[M+Na-2H]- 193.074716 142.5
[M]+ 172.09950142 135.0
[M]- 172.10059858 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