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

94
Patents

130.03784 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.04512 125.2
[M+Na]+ 153.02706 132.3
[M-H]- 129.03056 122.0
[M+NH4]+ 148.07166 143.8
[M+K]+ 169.00100 130.2
[M+H-H2O]+ 113.03510 119.4
[M+HCOO]- 175.03604 142.0
[M+CH3COO]- 189.05169 161.1
[M+Na-2H]- 151.01251 128.0
[M]+ 130.03729 119.0
[M]- 130.03839 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