CID 4327684

400877-10-3

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CN

InChI

InChI=1S/C10H11N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6,11H2

InChIKey

GSCUJPMBXNFQAF-UHFFFAOYSA-N

Compound name

(1-phenylpyrazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.09529 Da
Monoisotopic Mass: 0.7
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]+	174.10257	136.6
[M+Na]+	196.08451	149.7
[M+NH4]+	191.12911	145.3
[M+K]+	212.05845	144.6
[M-H]-	172.08801	140.3
[M+Na-2H]-	194.06996	145.6
[M]+	173.09474	139.4
[M]-	173.09584	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe