CID 6429151

.alpha.-acoradiene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CC=C(C12CCC(C=C2)C)C(C)C
InChI
InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h6-7,9,11-13H,5,8,10H2,1-4H3/t12?,13-,15?/m0/s1
InChIKey
XTISJFXWBIASHF-OWYJLGKBSA-N
Compound name
(1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.0
[M+Na]+ 227.17702 156.4
[M-H]- 203.18052 155.5
[M+NH4]+ 222.22162 173.6
[M+K]+ 243.15096 153.4
[M+H-H2O]+ 187.18506 144.8
[M+HCOO]- 249.18600 169.5
[M+CH3COO]- 263.20165 189.1
[M+Na-2H]- 225.16247 151.1
[M]+ 204.18725 147.0
[M]- 204.18835 147.0
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.