CID 11106781

3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-one

Structural Information

Molecular Formula
C14H16O2
SMILES
C1CCC2(CC1)CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C14H16O2/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7H,1,4-5,8-10H2
InChIKey
DBQLMDVZSFDTRL-UHFFFAOYSA-N
Compound name
spiro[3H-chromene-2,1'-cyclohexane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

21
Patents

216.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 146.8
[M+Na]+ 239.10426 152.6
[M-H]- 215.10776 153.1
[M+NH4]+ 234.14886 166.9
[M+K]+ 255.07820 150.5
[M+H-H2O]+ 199.11230 139.7
[M+HCOO]- 261.11324 163.4
[M+CH3COO]- 275.12889 158.8
[M+Na-2H]- 237.08971 154.5
[M]+ 216.11449 141.5
[M]- 216.11559 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

patents stripe