CID 6484215

1803591-83-4

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CC1=NC=CN1C2=CC=CC=C2CN

InChI

InChI=1S/C11H13N3/c1-9-13-6-7-14(9)11-5-3-2-4-10(11)8-12/h2-7H,8,12H2,1H3

InChIKey

JCHDRPRQPSKZQK-UHFFFAOYSA-N

Compound name

[2-(2-methylimidazol-1-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 187.11095 Da
Monoisotopic Mass: 0.9
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]+	188.11823	140.3
[M+Na]+	210.10017	149.3
[M-H]-	186.10367	144.5
[M+NH4]+	205.14477	158.9
[M+K]+	226.07411	145.6
[M+H-H2O]+	170.10821	132.2
[M+HCOO]-	232.10915	164.4
[M+CH3COO]-	246.12480	153.7
[M+Na-2H]-	208.08562	145.5
[M]+	187.11040	139.3
[M]-	187.11150	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe