CID 13558146

6116-48-9

Structural Information

Molecular Formula
C13H13NO2
SMILES
C1CCC2(C1)C3=CC=CC=C3C(=O)NC2=O
InChI
InChI=1S/C13H13NO2/c15-11-9-5-1-2-6-10(9)13(12(16)14-11)7-3-4-8-13/h1-2,5-6H,3-4,7-8H2,(H,14,15,16)
InChIKey
DICKRLLKGRHNOC-UHFFFAOYSA-N
Compound name
spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 147.5
[M+Na]+ 238.08386 155.5
[M-H]- 214.08736 151.3
[M+NH4]+ 233.12846 169.1
[M+K]+ 254.05780 150.6
[M+H-H2O]+ 198.09190 141.0
[M+HCOO]- 260.09284 165.0
[M+CH3COO]- 274.10849 159.5
[M+Na-2H]- 236.06931 152.1
[M]+ 215.09409 142.0
[M]- 215.09519 142.0
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

patents stripe