CID 90351

Alpha-acoradiene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@H]([C@]12CCC(=CC2)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/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14+,15-/m1/s1
InChIKey
DVBSKQAFCDJNSL-QLFBSQMISA-N
Compound name
(1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

144
Patents

204.1878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.6
[M+Na]+ 227.17702 156.2
[M-H]- 203.18052 155.7
[M+NH4]+ 222.22162 174.1
[M+K]+ 243.15096 152.8
[M+H-H2O]+ 187.18506 145.5
[M+HCOO]- 249.18600 168.8
[M+CH3COO]- 263.20165 188.6
[M+Na-2H]- 225.16247 150.7
[M]+ 204.18725 145.4
[M]- 204.18835 145.4
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.