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 140.7
[M+Na]+ 218.05361 148.5
[M-H]- 194.05711 141.4
[M+NH4]+ 213.09821 157.9
[M+K]+ 234.02755 146.1
[M+H-H2O]+ 178.06165 133.2
[M+HCOO]- 240.06259 158.8
[M+CH3COO]- 254.07824 175.9
[M+Na-2H]- 216.03906 141.2
[M]+ 195.06384 137.3
[M]- 195.06494 137.3
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.