CID 154869174

2503209-16-1

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

CN1C=C(C(=N1)CN)[N+](=O)[O-]

InChI

InChI=1S/C5H8N4O2/c1-8-3-5(9(10)11)4(2-6)7-8/h3H,2,6H2,1H3

InChIKey

JROQBOLTXQIRRR-UHFFFAOYSA-N

Compound name

(1-methyl-4-nitropyrazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.06473 Da
Monoisotopic Mass: -1.0
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	127.9
[M+Na]+	179.05395	138.8
[M+NH4]+	174.09855	134.8
[M+K]+	195.02789	139.1
[M-H]-	155.05745	129.3
[M+Na-2H]-	177.03940	132.5
[M]+	156.06418	129.4
[M]-	156.06528	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.