CID 2735324

76689-64-0

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

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

InChI

InChI=1S/C5H8N4O2/c1-3-4(9(10)11)5(6)8(2)7-3/h6H2,1-2H3

InChIKey

BSUSGJKEVOQESO-UHFFFAOYSA-N

Compound name

2,5-dimethyl-4-nitropyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 27
Patents: 156.06473 Da
Monoisotopic Mass: 0.7
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]+	157.07201	128.1
[M+Na]+	179.05395	139.4
[M+NH4]+	174.09855	135.1
[M+K]+	195.02789	139.9
[M-H]-	155.05745	129.6
[M+Na-2H]-	177.03940	132.5
[M]+	156.06418	129.7
[M]-	156.06528	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe