CID 652923

842958-29-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

C1C(CN(C1=O)CC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C11H12N2O3/c14-10-4-9(11(15)16)7-13(10)6-8-2-1-3-12-5-8/h1-3,5,9H,4,6-7H2,(H,15,16)

InChIKey

DJSGKVZNGKWZRT-UHFFFAOYSA-N

Compound name

5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 12
Patents: 220.0848 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe