CID 263111

2674-47-7

Structural Information

Molecular Formula
C14H16O2
SMILES
C1CCC2(CC1)CC3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C14H16O2/c15-13-12-7-3-2-6-11(12)10-14(16-13)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2
InChIKey
IHIMQESWAIGVLZ-UHFFFAOYSA-N
Compound name
spiro[4H-isochromene-3,1'-cyclohexane]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.122316 146.8
[M+Na]+ 239.104258 152.6
[M-H]- 215.107764 153.1
[M+NH4]+ 234.148863 166.9
[M+K]+ 255.078198 150.5
[M+H-H2O]+ 199.112300 139.7
[M+HCOO]- 261.113241 163.4
[M+CH3COO]- 275.128891 158.8
[M+Na-2H]- 237.089706 154.5
[M]+ 216.11449142 141.5
[M]- 216.11558858 141.5
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.