CID 2776483

4-pyrazol-1-yl-benzylamine

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

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

InChI

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

InChIKey

AVKMXPDYQVKSFF-UHFFFAOYSA-N

Compound name

(4-pyrazol-1-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 273
Patents: 173.09529 Da
Monoisotopic Mass: 1.1
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	135.4
[M+Na]+	196.08451	143.9
[M-H]-	172.08801	139.4
[M+NH4]+	191.12911	154.3
[M+K]+	212.05845	140.4
[M+H-H2O]+	156.09255	127.2
[M+HCOO]-	218.09349	159.8
[M+CH3COO]-	232.10914	148.8
[M+Na-2H]-	194.06996	141.9
[M]+	173.09474	133.7
[M]-	173.09584	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe