CID 16782615

953731-28-7

Structural Information

Molecular Formula

C₉H₁₀N₄

SMILES

C1=CN=C(C=C1CN)N2C=CN=C2

InChI

InChI=1S/C9H10N4/c10-6-8-1-2-12-9(5-8)13-4-3-11-7-13/h1-5,7H,6,10H2

InChIKey

DQTSFNDKOUQLGP-UHFFFAOYSA-N

Compound name

(2-imidazol-1-ylpyridin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 174.09055 Da
Monoisotopic Mass: -0.2
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]+	175.09783	135.4
[M+Na]+	197.07977	144.3
[M-H]-	173.08327	138.1
[M+NH4]+	192.12437	152.8
[M+K]+	213.05371	140.9
[M+H-H2O]+	157.08781	126.4
[M+HCOO]-	219.08875	158.7
[M+CH3COO]-	233.10440	148.4
[M+Na-2H]-	195.06522	142.4
[M]+	174.09000	133.8
[M]-	174.09110	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe