CID 11106781

Spiro[chroman-2,1'-cyclohexan]-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 149.0
[M+Na]+ 239.10426 162.4
[M+NH4]+ 234.14886 160.8
[M+K]+ 255.07820 152.6
[M-H]- 215.10776 155.0
[M+Na-2H]- 237.08971 156.7
[M]+ 216.11449 152.8
[M]- 216.11559 152.8
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