CID 594112

2-methyl-4-phenyl-1h-imidazole

Structural Information

Molecular Formula
C10H10N2
SMILES
CC1=NC=C(N1)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKey
PHMIILSQQVFWKC-UHFFFAOYSA-N
Compound name
2-methyl-5-phenyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

493
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

literature stripe

Patent stripe

patents stripe