CID 14505699

3,4-diethyl 1h-pyrazole-3,4-dicarboxylate

Structural Information

Molecular Formula
C9H12N2O4
SMILES
CCOC(=O)C1=C(NN=C1)C(=O)OCC
InChI
InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-10-11-7(6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)
InChIKey
VZKOLHTYHOVCKT-UHFFFAOYSA-N
Compound name
diethyl 1H-pyrazole-4,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

212.07971 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 145.1
[M+Na]+ 235.06893 152.8
[M-H]- 211.07243 144.9
[M+NH4]+ 230.11353 162.2
[M+K]+ 251.04287 152.0
[M+H-H2O]+ 195.07697 138.1
[M+HCOO]- 257.07791 165.6
[M+CH3COO]- 271.09356 182.1
[M+Na-2H]- 233.05438 147.4
[M]+ 212.07916 148.2
[M]- 212.08026 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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