CID 268417

33090-46-9

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

COC(=O)C1=C(NN=C1)C(=O)OC

InChI

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

InChIKey

MBPCNHQXWVYNJQ-UHFFFAOYSA-N

Compound name

dimethyl 1H-pyrazole-4,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
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	137.9
[M+Na]+	207.03762	147.0
[M+NH4]+	202.08222	142.9
[M+K]+	223.01156	146.3
[M-H]-	183.04112	135.2
[M+Na-2H]-	205.02307	140.6
[M]+	184.04785	137.8
[M]-	184.04895	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe