CID 50896493

1245808-23-4

Structural Information

Molecular Formula
C7H8N2O4
SMILES
COC(=O)C1=CC=NN1CC(=O)O
InChI
InChI=1S/C7H8N2O4/c1-13-7(12)5-2-3-8-9(5)4-6(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKey
SZOWYLCXUSMPTG-UHFFFAOYSA-N
Compound name
2-(5-methoxycarbonylpyrazol-1-yl)acetic 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 135.6
[M+Na]+ 207.037618 144.1
[M-H]- 183.041124 135.7
[M+NH4]+ 202.082223 153.7
[M+K]+ 223.011558 143.7
[M+H-H2O]+ 167.045660 128.9
[M+HCOO]- 229.046601 156.8
[M+CH3COO]- 243.062251 176.8
[M+Na-2H]- 205.023066 139.0
[M]+ 184.04785142 138.0
[M]- 184.04894858 138.0
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

No patent data available for this compound.