CID 131751097

1-hydroxyacorenone

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1CC(=O)C(C12CC=C(C(=O)C2)C)(C(C)C)O
InChI
InChI=1S/C15H22O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h5,9,11,18H,6-8H2,1-4H3
InChIKey
PUPNOMJEHZIMFF-UHFFFAOYSA-N
Compound name
4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 154.9
[M+Na]+ 273.14611 163.0
[M-H]- 249.14961 159.7
[M+NH4]+ 268.19071 178.2
[M+K]+ 289.12005 160.1
[M+H-H2O]+ 233.15415 151.6
[M+HCOO]- 295.15509 172.3
[M+CH3COO]- 309.17074 193.5
[M+Na-2H]- 271.13156 155.4
[M]+ 250.15634 152.9
[M]- 250.15744 152.9
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.