CID 45480219

1610471-12-9

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CC1=CN(C=N1)C2=CC=C(C=C2)CN

InChI

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

InChIKey

KQBXRCAZGVHDAU-UHFFFAOYSA-N

Compound name

[4-(4-methylimidazol-1-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	141.1
[M+Na]+	210.10017	154.3
[M+NH4]+	205.14477	149.6
[M+K]+	226.07411	149.2
[M-H]-	186.10367	144.8
[M+Na-2H]-	208.08562	149.6
[M]+	187.11040	143.9
[M]-	187.11150	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe