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: 79
Patents: 130.03784 Da
Monoisotopic Mass: -3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.04512	125.9
[M+Na]+	153.02706	133.5
[M+NH4]+	148.07166	131.2
[M+K]+	169.00100	133.0
[M-H]-	129.03056	122.5
[M+Na-2H]-	151.01251	127.1
[M]+	130.03729	125.3
[M]-	130.03839	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe