CID 16227159

1052531-24-4

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1=CC=C(C(=C1)CN)CN2C=CN=C2

InChI

InChI=1S/C11H13N3/c12-7-10-3-1-2-4-11(10)8-14-6-5-13-9-14/h1-6,9H,7-8,12H2

InChIKey

KQDQKIUTQYNZIO-UHFFFAOYSA-N

Compound name

[2-(imidazol-1-ylmethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 187.11095 Da
Monoisotopic Mass: 0.5
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	141.2
[M+Na]+	210.10017	154.0
[M+NH4]+	205.14477	149.7
[M+K]+	226.07411	148.7
[M-H]-	186.10367	144.8
[M+Na-2H]-	208.08562	149.9
[M]+	187.11040	143.9
[M]-	187.11150	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe