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

26
Patents

226.09535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 148.2
[M+Na]+ 249.084568 156.8
[M-H]- 225.088074 149.6
[M+NH4]+ 244.129173 165.8
[M+K]+ 265.058508 156.6
[M+H-H2O]+ 209.092610 141.1
[M+HCOO]- 271.093551 169.9
[M+CH3COO]- 285.109201 188.8
[M+Na-2H]- 247.070016 149.9
[M]+ 226.09480142 153.9
[M]- 226.09589858 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