CID 12693992

3,4-dihydro-2h-spiro[naphthalene-1,3'-oxolane]-2',5'-dione

Structural Information

Molecular Formula
C13H12O3
SMILES
C1CC2=CC=CC=C2C3(C1)CC(=O)OC3=O
InChI
InChI=1S/C13H12O3/c14-11-8-13(12(15)16-11)7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6H,3,5,7-8H2
InChIKey
DVWPADJMQGZCAA-UHFFFAOYSA-N
Compound name
spiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.085916 144.3
[M+Na]+ 239.067858 152.8
[M-H]- 215.071364 151.6
[M+NH4]+ 234.112463 166.7
[M+K]+ 255.041798 150.5
[M+H-H2O]+ 199.075900 138.8
[M+HCOO]- 261.076841 163.9
[M+CH3COO]- 275.092491 157.9
[M+Na-2H]- 237.053306 150.5
[M]+ 216.07809142 142.2
[M]- 216.07918858 142.2
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.