CID 139087999

Sesquiterpenoid

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(C)[C@H]1[C@@H](CC(=C)[C@@H]2[C@@H]1[C@@H](CC2)C(=O)C)O
InChI
InChI=1S/C15H24O2/c1-8(2)14-13(17)7-9(3)11-5-6-12(10(4)16)15(11)14/h8,11-15,17H,3,5-7H2,1-2,4H3/t11-,12+,13-,14+,15-/m1/s1
InChIKey
PJKDZBIZDKARAM-QKGCVVFFSA-N
Compound name
1-[(1R,3aS,6R,7R,7aS)-6-hydroxy-4-methylidene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18842
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 157.5
[M+Na]+ 259.16685 165.8
[M+NH4]+ 254.21145 165.2
[M+K]+ 275.14079 162.5
[M-H]- 235.17035 157.9
[M+Na-2H]- 257.15230 157.3
[M]+ 236.17708 158.4
[M]- 236.17818 158.4
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.