CID 6479705

Methyl (e)-6-[(1r,8ar)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-hex-2-enoate

Structural Information

Molecular Formula
C22H36O2
SMILES
C/C(=C\C(=O)OC)/CCC[C@@H]1C(=C)CCC2[C@]1(CCCC2(C)C)C
InChI
InChI=1S/C22H36O2/c1-16(15-20(23)24-6)9-7-10-18-17(2)11-12-19-21(3,4)13-8-14-22(18,19)5/h15,18-19H,2,7-14H2,1,3-6H3/b16-15+/t18-,19?,22+/m1/s1
InChIKey
FXILKSNHKNQWPY-KXPOKTTNSA-N
Compound name
methyl (E)-6-[(1R,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylhex-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.27155 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 183.3
[M+Na]+ 355.26077 186.6
[M-H]- 331.26427 185.7
[M+NH4]+ 350.30537 202.4
[M+K]+ 371.23471 182.8
[M+H-H2O]+ 315.26881 178.1
[M+HCOO]- 377.26975 194.9
[M+CH3COO]- 391.28540 214.3
[M+Na-2H]- 353.24622 181.1
[M]+ 332.27100 180.6
[M]- 332.27210 180.6
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.