CID 23279527

117451-93-1

Structural Information

Molecular Formula

C₅H₅N₃O₂

SMILES

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

InChI

InChI=1S/C5H5N3O2/c1-2-7-4-5(3-6-7)8(9)10/h2-4H,1H2

InChIKey

JGGBJLCPFMBNDY-UHFFFAOYSA-N

Compound name

1-ethenyl-4-nitropyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 139.03818 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]+	140.04546	124.3
[M+Na]+	162.02740	136.5
[M+NH4]+	157.07200	131.6
[M+K]+	178.00134	135.7
[M-H]-	138.03090	125.3
[M+Na-2H]-	160.01285	129.7
[M]+	139.03763	125.9
[M]-	139.03873	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe