CID 10123

2-isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CCCC2(C1CC(CC2)C(=C)C)C
InChI
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3
InChIKey
OZQAPQSEYFAMCY-UHFFFAOYSA-N
Compound name
5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

33
References

1782
Patents

204.1878 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 149.5
[M+Na]+ 227.177018 154.5
[M-H]- 203.180524 153.0
[M+NH4]+ 222.221623 171.8
[M+K]+ 243.150958 151.3
[M+H-H2O]+ 187.185060 144.2
[M+HCOO]- 249.186001 165.3
[M+CH3COO]- 263.201651 190.1
[M+Na-2H]- 225.162466 152.1
[M]+ 204.18725142 144.1
[M]- 204.18834858 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.