CID 12330558

62538-18-5

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃

SMILES

CC1=C(C(=NN1)N)C2=CC(=CC=C2)Cl

InChI

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

InChIKey

HOORSUWNFBFXET-UHFFFAOYSA-N

Compound name

4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 207.05632 Da
Monoisotopic Mass: 2.5
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]+	208.063596	143.9
[M+Na]+	230.045538	154.5
[M-H]-	206.049044	146.9
[M+NH4]+	225.090143	162.0
[M+K]+	246.019478	148.3
[M+H-H2O]+	190.053580	136.8
[M+HCOO]-	252.054521	162.0
[M+CH3COO]-	266.070171	156.7
[M+Na-2H]-	228.030986	147.7
[M]+	207.05577142	142.9
[M]-	207.05686858	142.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.