CID 71721403

3-(ethoxycarbonyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O4
SMILES
CCOC(=O)C1=CC(=NN1)C(=O)O
InChI
InChI=1S/C7H8N2O4/c1-2-13-7(12)5-3-4(6(10)11)8-9-5/h3H,2H2,1H3,(H,8,9)(H,10,11)
InChIKey
SUQSZNZPCNIEFJ-UHFFFAOYSA-N
Compound name
5-ethoxycarbonyl-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.0484 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 136.6
[M+Na]+ 207.037618 144.6
[M-H]- 183.041124 135.3
[M+NH4]+ 202.082223 153.9
[M+K]+ 223.011558 143.3
[M+H-H2O]+ 167.045660 130.0
[M+HCOO]- 229.046601 156.2
[M+CH3COO]- 243.062251 174.3
[M+Na-2H]- 205.023066 139.4
[M]+ 184.04785142 137.0
[M]- 184.04894858 137.0
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