CID 673690

1-(4-chlorobenzyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃

SMILES

C1=CC(=CC=C1CN2C=CC(=N2)N)Cl

InChI

InChI=1S/C10H10ClN3/c11-9-3-1-8(2-4-9)7-14-6-5-10(12)13-14/h1-6H,7H2,(H2,12,13)

InChIKey

DQRKUAPJKJGTMA-UHFFFAOYSA-N

Compound name

1-[(4-chlorophenyl)methyl]pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 207.05632 Da
Monoisotopic Mass: 2.1
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]+	208.06360	143.2
[M+Na]+	230.04554	153.3
[M-H]-	206.04904	147.1
[M+NH4]+	225.09014	161.7
[M+K]+	246.01948	147.9
[M+H-H2O]+	190.05358	135.4
[M+HCOO]-	252.05452	162.8
[M+CH3COO]-	266.07017	156.4
[M+Na-2H]-	228.03099	148.2
[M]+	207.05577	143.7
[M]-	207.05687	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe