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

29
Patents

206.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 142.7
[M+Na]+ 229.05836 150.3
[M-H]- 205.06186 145.6
[M+NH4]+ 224.10296 159.7
[M+K]+ 245.03230 147.8
[M+H-H2O]+ 189.06640 135.1
[M+HCOO]- 251.06734 162.2
[M+CH3COO]- 265.08299 181.0
[M+Na-2H]- 227.04381 145.2
[M]+ 206.06859 140.4
[M]- 206.06969 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