CID 139174

10514-60-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

CCOC(=O)C1=CN(N=C1C(=O)OCC)C

InChI

InChI=1S/C10H14N2O4/c1-4-15-9(13)7-6-12(3)11-8(7)10(14)16-5-2/h6H,4-5H2,1-3H3

InChIKey

WGDUGNXQHVPZSH-UHFFFAOYSA-N

Compound name

diethyl 1-methylpyrazole-3,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 226.09535 Da
Monoisotopic Mass: 1.0
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]+	227.10263	150.2
[M+Na]+	249.08457	159.7
[M+NH4]+	244.12917	155.1
[M+K]+	265.05851	158.2
[M-H]-	225.08807	148.0
[M+Na-2H]-	247.07002	152.6
[M]+	226.09480	150.4
[M]-	226.09590	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe