CID 85213626

2-hydroxyacorenone

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1CC(C(C12CC=C(C(=O)C2)C)C(C)C)O
InChI
InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11-12,14,16H,6-8H2,1-4H3
InChIKey
ADNFCKCPNFGLCH-UHFFFAOYSA-N
Compound name
3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 155.5
[M+Na]+ 259.16685 162.5
[M-H]- 235.17035 159.9
[M+NH4]+ 254.21145 177.5
[M+K]+ 275.14079 159.3
[M+H-H2O]+ 219.17489 151.3
[M+HCOO]- 281.17583 172.6
[M+CH3COO]- 295.19148 192.4
[M+Na-2H]- 257.15230 154.3
[M]+ 236.17708 152.3
[M]- 236.17818 152.3
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.