CID 17750927

936940-08-8

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

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

InChI

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

InChIKey

SZLBOMHYJMAXRA-UHFFFAOYSA-N

Compound name

(3-phenyl-1H-pyrazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 173.09529 Da
Monoisotopic Mass: 0.8
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	135.8
[M+Na]+	196.08451	143.9
[M-H]-	172.08801	138.4
[M+NH4]+	191.12911	153.9
[M+K]+	212.05845	139.5
[M+H-H2O]+	156.09255	127.9
[M+HCOO]-	218.09349	158.7
[M+CH3COO]-	232.10914	148.5
[M+Na-2H]-	194.06996	141.8
[M]+	173.09474	132.2
[M]-	173.09584	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe