CID 12430677

5-(2-methylphenyl)-1h-imidazole

Structural Information

Molecular Formula
C10H10N2
SMILES
CC1=CC=CC=C1C2=CN=CN2
InChI
InChI=1S/C10H10N2/c1-8-4-2-3-5-9(8)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)
InChIKey
XKLRJKGBERAFIL-UHFFFAOYSA-N
Compound name
5-(2-methylphenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

158.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 132.0
[M+Na]+ 181.07362 140.9
[M-H]- 157.07712 135.1
[M+NH4]+ 176.11822 151.3
[M+K]+ 197.04756 137.0
[M+H-H2O]+ 141.08166 124.5
[M+HCOO]- 203.08260 154.4
[M+CH3COO]- 217.09825 145.5
[M+Na-2H]- 179.05907 138.5
[M]+ 158.08385 130.0
[M]- 158.08495 130.0
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