CID 14266056

117860-56-7

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

CN1C(=CC(=N1)C(=O)O)C(=O)OC

InChI

InChI=1S/C7H8N2O4/c1-9-5(7(12)13-2)3-4(8-9)6(10)11/h3H,1-2H3,(H,10,11)

InChIKey

VMNNEPAQHIMLFM-UHFFFAOYSA-N

Compound name

5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 184.0484 Da
Monoisotopic Mass: 0.3
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]+	185.05568	137.5
[M+Na]+	207.03762	147.0
[M+NH4]+	202.08222	142.6
[M+K]+	223.01156	146.5
[M-H]-	183.04112	134.9
[M+Na-2H]-	205.02307	140.0
[M]+	184.04785	137.6
[M]-	184.04895	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe