CID 112855

62535-60-8

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)N

InChI

InChI=1S/C11H13N3/c1-8-3-5-10(6-4-8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3

InChIKey

WQUNBEPKWJLYJD-UHFFFAOYSA-N

Compound name

5-methyl-2-(4-methylphenyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1231
Patents: 187.11095 Da
Monoisotopic Mass: 2.3
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]+	188.11823	140.6
[M+Na]+	210.10017	150.5
[M-H]-	186.10367	145.2
[M+NH4]+	205.14477	159.5
[M+K]+	226.07411	146.8
[M+H-H2O]+	170.10821	132.8
[M+HCOO]-	232.10915	164.6
[M+CH3COO]-	246.12480	185.8
[M+Na-2H]-	208.08562	145.0
[M]+	187.11040	140.0
[M]-	187.11150	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe