CID 786267

16459-47-5

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

CC1=NN(C(=C1)N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O2/c1-7-6-10(11)13(12-7)8-2-4-9(5-3-8)14(15)16/h2-6H,11H2,1H3

InChIKey

TVXCGEBTCKIPNH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 15
Patents: 218.08037 Da
Monoisotopic Mass: 1.8
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]+	219.08765	144.2
[M+Na]+	241.06959	157.4
[M+NH4]+	236.11419	151.6
[M+K]+	257.04353	156.3
[M-H]-	217.07309	148.4
[M+Na-2H]-	239.05504	151.5
[M]+	218.07982	147.0
[M]-	218.08092	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe