CID 6455652

2-naphthyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C15H13NO3
SMILES
C1CC(=O)N[C@@H]1C(=O)OC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C15H13NO3/c17-14-8-7-13(16-14)15(18)19-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,17)/t13-/m0/s1
InChIKey
ZFLYMZADKJPSIM-ZDUSSCGKSA-N
Compound name
naphthalen-2-yl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

No patent data available for this compound.