CID 131752182

(3xi,7(11)z)-7(11)-copaene-4,12-diol

Structural Information

Molecular Formula
C15H24O2
SMILES
C/C(=C\1/CCC2(C3C1C2C(CC3)(C)O)C)/CO
InChI
InChI=1S/C15H24O2/c1-9(8-16)10-4-6-14(2)11-5-7-15(3,17)13(14)12(10)11/h11-13,16-17H,4-8H2,1-3H3/b10-9+
InChIKey
VCKNBYBUMOAFMV-MDZDMXLPSA-N
Compound name
(8E)-8-(1-hydroxypropan-2-ylidene)-1,3-dimethyltricyclo[4.4.0.02,7]decan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 169.8
[M+Na]+ 259.16685 173.5
[M-H]- 235.17035 168.0
[M+NH4]+ 254.21145 188.1
[M+K]+ 275.14079 172.3
[M+H-H2O]+ 219.17489 161.2
[M+HCOO]- 281.17583 175.8
[M+CH3COO]- 295.19148 197.9
[M+Na-2H]- 257.15230 174.3
[M]+ 236.17708 176.9
[M]- 236.17818 176.9
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.