CID 84013751

1378690-14-2

Structural Information

Molecular Formula
C6H6N2O4
SMILES
COC(=O)C1=C(NN=C1)C(=O)O
InChI
InChI=1S/C6H6N2O4/c1-12-6(11)3-2-7-8-4(3)5(9)10/h2H,1H3,(H,7,8)(H,9,10)
InChIKey
XBZVQWMXKYSGJA-UHFFFAOYSA-N
Compound name
4-methoxycarbonyl-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.03276 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04004 133.9
[M+Na]+ 193.02198 142.6
[M+NH4]+ 188.06658 138.7
[M+K]+ 208.99592 142.5
[M-H]- 169.02548 130.7
[M+Na-2H]- 191.00743 136.2
[M]+ 170.03221 133.6
[M]- 170.03331 133.6
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

No patent data available for this compound.