CID 1484491

3,5-dimethyl 1h-pyrazole-3,5-dicarboxylate

Structural Information

Molecular Formula
C7H8N2O4
SMILES
COC(=O)C1=CC(=NN1)C(=O)OC
InChI
InChI=1S/C7H8N2O4/c1-12-6(10)4-3-5(9-8-4)7(11)13-2/h3H,1-2H3,(H,8,9)
InChIKey
SIPQVJNEQSWAOK-UHFFFAOYSA-N
Compound name
dimethyl 1H-pyrazole-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

270
Patents

184.0484 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 135.9
[M+Na]+ 207.03762 144.5
[M-H]- 183.04112 136.0
[M+NH4]+ 202.08222 154.1
[M+K]+ 223.01156 144.1
[M+H-H2O]+ 167.04566 129.2
[M+HCOO]- 229.04660 157.0
[M+CH3COO]- 243.06225 176.1
[M+Na-2H]- 205.02307 139.2
[M]+ 184.04785 138.2
[M]- 184.04895 138.2
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

patents stripe