CID 23319740

927889-59-6

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

CCOC(=O)C1=C(C(=NN1)C(=O)OCC)C

InChI

InChI=1S/C10H14N2O4/c1-4-15-9(13)7-6(3)8(12-11-7)10(14)16-5-2/h4-5H2,1-3H3,(H,11,12)

InChIKey

URRLMKSFDQSKEX-UHFFFAOYSA-N

Compound name

diethyl 4-methyl-1H-pyrazole-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 226.09535 Da
Monoisotopic Mass: 1.7
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	150.9
[M+Na]+	249.08457	159.7
[M+NH4]+	244.12917	155.4
[M+K]+	265.05851	158.5
[M-H]-	225.08807	148.1
[M+Na-2H]-	247.07002	152.5
[M]+	226.09480	150.8
[M]-	226.09590	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe