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]+ 237.184906 169.8
[M+Na]+ 259.166848 173.5
[M-H]- 235.170354 168.0
[M+NH4]+ 254.211453 188.1
[M+K]+ 275.140788 172.3
[M+H-H2O]+ 219.174890 161.2
[M+HCOO]- 281.175831 175.8
[M+CH3COO]- 295.191481 197.9
[M+Na-2H]- 257.152296 174.3
[M]+ 236.17708142 176.9
[M]- 236.17817858 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.