CID 131752062

Ent-19-trachylobanal

Structural Information

Molecular Formula
C20H30O
SMILES
CC1(CCCC2(C1CCC34C2CC5C(C3)C5(C4)C)C)C=O
InChI
InChI=1S/C20H30O/c1-17(12-21)6-4-7-18(2)15(17)5-8-20-10-14-13(9-16(18)20)19(14,3)11-20/h12-16H,4-11H2,1-3H3
InChIKey
KHSBNJXREDZLMJ-UHFFFAOYSA-N
Compound name
5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

286.22968 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.236956 170.6
[M+Na]+ 309.218898 177.1
[M-H]- 285.222404 172.3
[M+NH4]+ 304.263503 195.1
[M+K]+ 325.192838 171.8
[M+H-H2O]+ 269.226940 162.4
[M+HCOO]- 331.227881 173.5
[M+CH3COO]- 345.243531 178.8
[M+Na-2H]- 307.204346 175.7
[M]+ 286.22913142 172.3
[M]- 286.23022858 172.3
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.