CID 7176319

1-(2-chlorophenyl)-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃

SMILES

CC1=NN(C(=C1)N)C2=CC=CC=C2Cl

InChI

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

InChIKey

NEKHWUVVKRUUIT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
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]+	208.063596	143.5
[M+Na]+	230.045538	154.5
[M-H]-	206.049044	147.9
[M+NH4]+	225.090143	162.4
[M+K]+	246.019478	149.2
[M+H-H2O]+	190.053580	136.1
[M+HCOO]-	252.054521	163.1
[M+CH3COO]-	266.070171	157.0
[M+Na-2H]-	228.030986	147.8
[M]+	207.05577142	144.4
[M]-	207.05686858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe