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: 7
Patents: 172.10005 Da
Monoisotopic Mass: 2.4
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]+	173.10733	137.8
[M+Na]+	195.08927	151.8
[M+NH4]+	190.13387	146.7
[M+K]+	211.06321	146.0
[M-H]-	171.09277	140.9
[M+Na-2H]-	193.07472	146.7
[M]+	172.09950	140.7
[M]-	172.10060	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe