CID 73808498

5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone

Structural Information

Molecular Formula
C27H44O2
SMILES
CC(C)C(=O)C1C(=O)C(CC(C1(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C
InChI
InChI=1S/C27H44O2/c1-18(2)11-10-16-27(9)23(15-13-20(5)6)17-22(14-12-19(3)4)26(29)24(27)25(28)21(7)8/h11-13,21-24H,10,14-17H2,1-9H3
InChIKey
AXAAMKAGJNUYDB-UHFFFAOYSA-N
Compound name
3-methyl-4,6-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)-2-(2-methylpropanoyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

400.33414 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.34142 199.2
[M+Na]+ 423.32336 201.3
[M-H]- 399.32686 200.7
[M+NH4]+ 418.36796 213.0
[M+K]+ 439.29730 196.9
[M+H-H2O]+ 383.33140 194.4
[M+HCOO]- 445.33234 210.0
[M+CH3COO]- 459.34799 232.8
[M+Na-2H]- 421.30881 188.8
[M]+ 400.33359 199.5
[M]- 400.33469 199.5
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.