CID 63154463

5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1CC(=O)N(C1)C2=CN=CC(=C2)C(=O)O
InChI
InChI=1S/C10H10N2O3/c13-9-2-1-3-12(9)8-4-7(10(14)15)5-11-6-8/h4-6H,1-3H2,(H,14,15)
InChIKey
WVEAOXXSQFLRJU-UHFFFAOYSA-N
Compound name
5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

206.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 142.7
[M+Na]+ 229.058358 150.3
[M-H]- 205.061864 145.6
[M+NH4]+ 224.102963 159.7
[M+K]+ 245.032298 147.8
[M+H-H2O]+ 189.066400 135.1
[M+HCOO]- 251.067341 162.2
[M+CH3COO]- 265.082991 181.0
[M+Na-2H]- 227.043806 145.2
[M]+ 206.06859142 140.4
[M]- 206.06968858 140.4
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