CID 597434

1-ethyl-4-nitro-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula

C₆H₇N₃O₄

SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C6H7N3O4/c1-2-8-5(6(10)11)4(3-7-8)9(12)13/h3H,2H2,1H3,(H,10,11)

InChIKey

XGQDFPLXJYYOPA-UHFFFAOYSA-N

Compound name

2-ethyl-4-nitropyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 185.04366 Da
Monoisotopic Mass: 0.2
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]+	186.05094	134.8
[M+Na]+	208.03288	145.3
[M+NH4]+	203.07748	140.3
[M+K]+	224.00682	146.8
[M-H]-	184.03638	134.1
[M+Na-2H]-	206.01833	137.8
[M]+	185.04311	135.5
[M]-	185.04421	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe