CID 12378849

5-oxopyrazolidine-3-carboxylic acid

Structural Information

Molecular Formula
C4H6N2O3
SMILES
C1C(NNC1=O)C(=O)O
InChI
InChI=1S/C4H6N2O3/c7-3-1-2(4(8)9)5-6-3/h2,5H,1H2,(H,6,7)(H,8,9)
InChIKey
ZPNZAGCCZRYCGZ-UHFFFAOYSA-N
Compound name
5-oxopyrazolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

130.03784 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.045116 125.2
[M+Na]+ 153.027058 132.3
[M-H]- 129.030564 122.0
[M+NH4]+ 148.071663 143.8
[M+K]+ 169.000998 130.2
[M+H-H2O]+ 113.035100 119.4
[M+HCOO]- 175.036041 142.0
[M+CH3COO]- 189.051691 161.1
[M+Na-2H]- 151.012506 128.0
[M]+ 130.03729142 119.0
[M]- 130.03838858 119.0
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