CID 2760161

340319-91-7

Structural Information

Molecular Formula
C15H13NO3
SMILES
C1C(CN(C1=O)C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C15H13NO3/c17-14-8-11(15(18)19)9-16(14)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,18,19)
InChIKey
XARHILSRKCHUAE-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

255.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 155.9
[M+Na]+ 278.07876 163.7
[M-H]- 254.08226 161.1
[M+NH4]+ 273.12336 173.5
[M+K]+ 294.05270 159.4
[M+H-H2O]+ 238.08680 148.8
[M+HCOO]- 300.08774 174.8
[M+CH3COO]- 314.10339 192.3
[M+Na-2H]- 276.06421 158.2
[M]+ 255.08899 154.2
[M]- 255.09009 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.