CID 131752036

Tanavulgarol

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1C2CC(C2(C)CC(=O)C=C(C)C)CC1O
InChI
InChI=1S/C15H24O2/c1-9(2)5-12(16)8-15(4)11-6-13(15)10(3)14(17)7-11/h5,10-11,13-14,17H,6-8H2,1-4H3
InChIKey
TZZOUTYFTVJIFX-UHFFFAOYSA-N
Compound name
1-(3-hydroxy-2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-4-methylpent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 173.3
[M+Na]+ 259.16685 177.0
[M-H]- 235.17035 170.7
[M+NH4]+ 254.21145 190.3
[M+K]+ 275.14079 176.9
[M+H-H2O]+ 219.17489 165.3
[M+HCOO]- 281.17583 181.6
[M+CH3COO]- 295.19148 201.2
[M+Na-2H]- 257.15230 176.1
[M]+ 236.17708 183.9
[M]- 236.17818 183.9
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.