CID 45490113

3156-58-9

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

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

InChI

InChI=1S/C6H7N3O2/c1-8-5-6(4-7-8)2-3-9(10)11/h2-5H,1H3/b3-2+

InChIKey

QVIOAKYACIEATD-NSCUHMNNSA-N

Compound name

1-methyl-4-[(E)-2-nitroethenyl]pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 153.05383 Da
Monoisotopic Mass: 0.5
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]+	154.06111	128.9
[M+Na]+	176.04305	140.9
[M+NH4]+	171.08765	136.1
[M+K]+	192.01699	139.9
[M-H]-	152.04655	129.9
[M+Na-2H]-	174.02850	134.0
[M]+	153.05328	130.5
[M]-	153.05438	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe