CID 1810630

40401-41-0

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃

SMILES

CC1=NN(C(=C1)N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C10H10ClN3/c1-7-5-10(12)14(13-7)9-4-2-3-8(11)6-9/h2-6H,12H2,1H3

InChIKey

YQXLXMSDCGPOLM-UHFFFAOYSA-N

Compound name

2-(3-chlorophenyl)-5-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 207.05632 Da
Monoisotopic Mass: 2.6
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	143.5
[M+Na]+	230.04554	154.5
[M-H]-	206.04904	147.9
[M+NH4]+	225.09014	162.4
[M+K]+	246.01948	149.2
[M+H-H2O]+	190.05358	136.1
[M+HCOO]-	252.05452	163.1
[M+CH3COO]-	266.07017	157.0
[M+Na-2H]-	228.03099	147.8
[M]+	207.05577	144.4
[M]-	207.05687	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe