CID 6455651

1-naphthyl 5-oxo-l-prolinate

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

C1CC(=O)N[C@@H]1C(=O)OC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C15H13NO3/c17-14-9-8-12(16-14)15(18)19-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,16,17)/t12-/m0/s1

InChIKey

KBXKGZPUJFVDLQ-LBPRGKRZSA-N

Compound name

naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 255.08954 Da
Monoisotopic Mass: 2.4
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]+	256.096816	156.3
[M+Na]+	278.078758	163.2
[M-H]-	254.082264	161.1
[M+NH4]+	273.123363	173.6
[M+K]+	294.052698	158.9
[M+H-H2O]+	238.086800	148.8
[M+HCOO]-	300.087741	175.2
[M+CH3COO]-	314.103391	190.4
[M+Na-2H]-	276.064206	159.2
[M]+	255.08899142	154.0
[M]-	255.09008858	154.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.