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]+ 287.23696 170.6
[M+Na]+ 309.21890 177.1
[M-H]- 285.22240 172.3
[M+NH4]+ 304.26350 195.1
[M+K]+ 325.19284 171.8
[M+H-H2O]+ 269.22694 162.4
[M+HCOO]- 331.22788 173.5
[M+CH3COO]- 345.24353 178.8
[M+Na-2H]- 307.20435 175.7
[M]+ 286.22913 172.3
[M]- 286.23023 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.