CID 21597229

198135-11-4

Structural Information

Molecular Formula
C7H8N2O4
SMILES
CC1=C(C(=NN1)C(=O)O)C(=O)OC
InChI
InChI=1S/C7H8N2O4/c1-3-4(7(12)13-2)5(6(10)11)9-8-3/h1-2H3,(H,8,9)(H,10,11)
InChIKey
NGRRYHBWFLFQBW-UHFFFAOYSA-N
Compound name
4-methoxycarbonyl-5-methyl-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 138.1
[M+Na]+ 207.03762 147.1
[M+NH4]+ 202.08222 142.8
[M+K]+ 223.01156 146.9
[M-H]- 183.04112 134.9
[M+Na-2H]- 205.02307 140.0
[M]+ 184.04785 137.9
[M]- 184.04895 137.9
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

No patent data available for this compound.