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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 148.2
[M+Na]+ 249.08457 156.8
[M-H]- 225.08807 149.6
[M+NH4]+ 244.12917 165.8
[M+K]+ 265.05851 156.6
[M+H-H2O]+ 209.09261 141.1
[M+HCOO]- 271.09355 169.9
[M+CH3COO]- 285.10920 188.8
[M+Na-2H]- 247.07002 149.9
[M]+ 226.09480 153.9
[M]- 226.09590 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe