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]+ 303.231856 189.8
[M+Na]+ 325.213798 194.4
[M-H]- 301.217304 191.6
[M+NH4]+ 320.258403 199.7
[M+K]+ 341.187738 192.8
[M+H-H2O]+ 285.221840 186.3
[M+HCOO]- 347.222781 195.7
[M+CH3COO]- 361.238431 232.6
[M+Na-2H]- 323.199246 183.8
[M]+ 302.22403142 188.6
[M]- 302.22512858 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.