CID 14330184

Schembl16261137

Structural Information

Molecular Formula
C20H30O3
SMILES
CC1(CCCC2(C1CCC3(C2CC=C(CC3O)C=O)C=O)C)C
InChI
InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3
InChIKey
UDKRLAJJSYRYRU-UHFFFAOYSA-N
Compound name
7-hydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,7,8,11,11a-decahydrocyclohepta[a]naphthalene-6a,9-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

318.21948 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.226756 174.2
[M+Na]+ 341.208698 179.1
[M-H]- 317.212204 178.1
[M+NH4]+ 336.253303 194.6
[M+K]+ 357.182638 176.9
[M+H-H2O]+ 301.216740 169.2
[M+HCOO]- 363.217681 184.8
[M+CH3COO]- 377.233331 207.7
[M+Na-2H]- 339.194146 176.8
[M]+ 318.21893142 167.6
[M]- 318.22002858 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe