CID 6428488

Zonarene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CCC(=C2C1CCC(=C2)C)C(C)C
InChI
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12,14H,5-8H2,1-4H3/t12-,14?/m0/s1
InChIKey
FIAKMTRUEKZMNO-NBFOIZRFSA-N
Compound name
(1S)-1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

204.1878 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.0
[M+Na]+ 227.17702 154.7
[M-H]- 203.18052 152.8
[M+NH4]+ 222.22162 169.7
[M+K]+ 243.15096 151.7
[M+H-H2O]+ 187.18506 143.3
[M+HCOO]- 249.18600 166.0
[M+CH3COO]- 263.20165 192.2
[M+Na-2H]- 225.16247 150.9
[M]+ 204.18725 145.9
[M]- 204.18835 145.9
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.