CID 43539700

5-oxo-1-(1h-pyrazol-4-yl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H9N3O3
SMILES
C1C(CN(C1=O)C2=CNN=C2)C(=O)O
InChI
InChI=1S/C8H9N3O3/c12-7-1-5(8(13)14)4-11(7)6-2-9-10-3-6/h2-3,5H,1,4H2,(H,9,10)(H,13,14)
InChIKey
OXTYWNUUIMVAGL-UHFFFAOYSA-N
Compound name
5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06439 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07167 142.1
[M+Na]+ 218.05361 150.5
[M+NH4]+ 213.09821 147.3
[M+K]+ 234.02755 151.4
[M-H]- 194.05711 140.5
[M+Na-2H]- 216.03906 144.8
[M]+ 195.06384 142.2
[M]- 195.06494 142.2
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.