CID 3010019

5-[(8as)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]pentan-2-one

Structural Information

Molecular Formula
C19H32O
SMILES
CC(=O)CCCC1C(=C)CCC2[C@@]1(CCCC2(C)C)C
InChI
InChI=1S/C19H32O/c1-14-10-11-17-18(3,4)12-7-13-19(17,5)16(14)9-6-8-15(2)20/h16-17H,1,6-13H2,2-5H3/t16?,17?,19-/m1/s1
InChIKey
PDVUOPONCCUMTH-FAFZWHIHSA-N
Compound name
5-[(8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]pentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.24533 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 168.4
[M+Na]+ 299.23455 172.8
[M-H]- 275.23805 171.3
[M+NH4]+ 294.27915 189.8
[M+K]+ 315.20849 169.1
[M+H-H2O]+ 259.24259 163.3
[M+HCOO]- 321.24353 181.6
[M+CH3COO]- 335.25918 204.6
[M+Na-2H]- 297.22000 168.6
[M]+ 276.24478 164.5
[M]- 276.24588 164.5
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.