CID 70319

939-06-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CC1CN=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C10H12N2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)

InChIKey

JJUVAPMVTXLLFR-UHFFFAOYSA-N

Compound name

5-methyl-2-phenyl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1322
Patents: 160.10005 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	161.107326	133.8
[M+Na]+	183.089268	141.7
[M-H]-	159.092774	136.5
[M+NH4]+	178.133873	153.0
[M+K]+	199.063208	138.0
[M+H-H2O]+	143.097310	126.2
[M+HCOO]-	205.098251	154.8
[M+CH3COO]-	219.113901	146.7
[M+Na-2H]-	181.074716	139.3
[M]+	160.09950142	130.4
[M]-	160.10059858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe