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

14
Patents

318.21948 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 174.2
[M+Na]+ 341.20870 179.1
[M-H]- 317.21220 178.1
[M+NH4]+ 336.25330 194.6
[M+K]+ 357.18264 176.9
[M+H-H2O]+ 301.21674 169.2
[M+HCOO]- 363.21768 184.8
[M+CH3COO]- 377.23333 207.7
[M+Na-2H]- 339.19415 176.8
[M]+ 318.21893 167.6
[M]- 318.22003 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