CID 25247563

1172798-36-5

Structural Information

Molecular Formula
C7H8N2O4
SMILES
CN1C(=C(C=N1)C(=O)O)C(=O)OC
InChI
InChI=1S/C7H8N2O4/c1-9-5(7(12)13-2)4(3-8-9)6(10)11/h3H,1-2H3,(H,10,11)
InChIKey
VHDXJWTUORNBEB-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0484 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 134.9
[M+Na]+ 207.037618 144.4
[M-H]- 183.041124 135.5
[M+NH4]+ 202.082223 153.4
[M+K]+ 223.011558 144.0
[M+H-H2O]+ 167.045660 128.6
[M+HCOO]- 229.046601 156.1
[M+CH3COO]- 243.062251 178.0
[M+Na-2H]- 205.023066 137.7
[M]+ 184.04785142 137.7
[M]- 184.04894858 137.7
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.