CID 157010074

Dihydrocapsenone

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1C(CC(=O)C2C1(CC(CC2)C(=C)C)C)O
InChI
InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h10-13,16H,1,5-8H2,2-4H3
InChIKey
SNEXDCBPEIQRSH-UHFFFAOYSA-N
Compound name
3-hydroxy-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 155.1
[M+Na]+ 259.16685 160.8
[M-H]- 235.17035 157.5
[M+NH4]+ 254.21145 175.8
[M+K]+ 275.14079 157.5
[M+H-H2O]+ 219.17489 150.7
[M+HCOO]- 281.17583 168.5
[M+CH3COO]- 295.19148 193.7
[M+Na-2H]- 257.15230 155.4
[M]+ 236.17708 149.6
[M]- 236.17818 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.