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 189.8
[M+Na]+ 325.21380 194.4
[M-H]- 301.21730 191.6
[M+NH4]+ 320.25840 199.7
[M+K]+ 341.18774 192.8
[M+H-H2O]+ 285.22184 186.3
[M+HCOO]- 347.22278 195.7
[M+CH3COO]- 361.23843 232.6
[M+Na-2H]- 323.19925 183.8
[M]+ 302.22403 188.6
[M]- 302.22513 188.6
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.