CID 90658320

8beta-hydroxyfusicocca-1,10(14)-diene-16-al

Structural Information

Molecular Formula
C20H30O2
SMILES
C[C@@H]1[C@@H]\2CCC(/C2=C/[C@]3(CCC(=C3CC1O)C(C)C)C)C=O
InChI
InChI=1S/C20H30O2/c1-12(2)15-7-8-20(4)10-17-14(11-21)5-6-16(17)13(3)19(22)9-18(15)20/h10-14,16,19,22H,5-9H2,1-4H3/b17-10-/t13-,14?,16+,19?,20-/m1/s1
InChIKey
RXBOBOBBUFBTEQ-HTZGKGDFSA-N
Compound name
(1R,2E,7S,8R)-9-hydroxy-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-2,11-diene-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

302.22458 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 184.6
[M+Na]+ 325.21380 187.1
[M+NH4]+ 320.25840 187.3
[M+K]+ 341.18774 185.0
[M-H]- 301.21730 184.8
[M+Na-2H]- 323.19925 184.0
[M]+ 302.22403 184.9
[M]- 302.22513 184.9
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.