CID 25247544

1170089-42-5

Structural Information

Molecular Formula
C7H8N2O4
SMILES
COC(=O)C1=NN(C=C1)CC(=O)O
InChI
InChI=1S/C7H8N2O4/c1-13-7(12)5-2-3-9(8-5)4-6(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKey
OLLOYPUWGNSGSM-UHFFFAOYSA-N
Compound name
2-(3-methoxycarbonylpyrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

184.0484 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 135.6
[M+Na]+ 207.03762 144.1
[M-H]- 183.04112 135.7
[M+NH4]+ 202.08222 153.7
[M+K]+ 223.01156 143.7
[M+H-H2O]+ 167.04566 128.9
[M+HCOO]- 229.04660 156.8
[M+CH3COO]- 243.06225 176.8
[M+Na-2H]- 205.02307 139.0
[M]+ 184.04785 138.0
[M]- 184.04895 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

patents stripe