CID 4777987

845546-25-0

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1C(CN(C1=O)CC2=CC=CC=N2)C(=O)O
InChI
InChI=1S/C11H12N2O3/c14-10-5-8(11(15)16)6-13(10)7-9-3-1-2-4-12-9/h1-4,8H,5-7H2,(H,15,16)
InChIKey
OKAPMSWGSBQSMX-UHFFFAOYSA-N
Compound name
5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

220.0848 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 148.8
[M+Na]+ 243.07402 159.5
[M+NH4]+ 238.11862 155.1
[M+K]+ 259.04796 156.6
[M-H]- 219.07752 149.3
[M+Na-2H]- 241.05947 153.6
[M]+ 220.08425 150.0
[M]- 220.08535 150.0
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