CID 14433063

Dehydrooreadone

Structural Information

Molecular Formula
C14H18O3
SMILES
CC1(C=CC(=O)C2C1CC=C3C2C(OC3)O)C
InChI
InChI=1S/C14H18O3/c1-14(2)6-5-10(15)12-9(14)4-3-8-7-17-13(16)11(8)12/h3,5-6,9,11-13,16H,4,7H2,1-2H3
InChIKey
RBUVATMDYDGAJH-UHFFFAOYSA-N
Compound name
1-hydroxy-6,6-dimethyl-1,3,5,5a,9a,9b-hexahydrobenzo[e][2]benzofuran-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 151.0
[M+Na]+ 257.11482 159.5
[M-H]- 233.11832 155.8
[M+NH4]+ 252.15942 173.4
[M+K]+ 273.08876 156.8
[M+H-H2O]+ 217.12286 146.7
[M+HCOO]- 279.12380 166.8
[M+CH3COO]- 293.13945 189.9
[M+Na-2H]- 255.10027 155.2
[M]+ 234.12505 149.6
[M]- 234.12615 149.6
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.