CID 2800424

103646-82-8

Structural Information

Molecular Formula

C₁₁H₁₀N₄

SMILES

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

InChI

InChI=1S/C11H10N4/c1-8-2-4-10(5-3-8)15-11(13)9(6-12)7-14-15/h2-5,7H,13H2,1H3

InChIKey

MJQOLPWOOIMZDA-UHFFFAOYSA-N

Compound name

5-amino-1-(4-methylphenyl)pyrazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 37
Patents: 198.09055 Da
Monoisotopic Mass: 2.2
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]+	199.09783	145.7
[M+Na]+	221.07977	158.3
[M+NH4]+	216.12437	150.2
[M+K]+	237.05371	150.3
[M-H]-	197.08327	141.5
[M+Na-2H]-	219.06522	150.6
[M]+	198.09000	145.4
[M]-	198.09110	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe