CID 817005

5-methyl-4-phenyl-1h-imidazole

Structural Information

Molecular Formula
C10H10N2
SMILES
CC1=C(N=CN1)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2/c1-8-10(12-7-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKey
KYKQVLBOPNFHSV-UHFFFAOYSA-N
Compound name
5-methyl-4-phenyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
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 133.3
[M+Na]+ 181.07362 147.4
[M+NH4]+ 176.11822 142.3
[M+K]+ 197.04756 141.9
[M-H]- 157.07712 136.4
[M+Na-2H]- 179.05907 142.4
[M]+ 158.08385 136.1
[M]- 158.08495 136.1
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