CID 13743810

213020-40-7

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-RBSFLKMASA-N
Compound name
(1R,4R,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

149
Patents

204.1878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 150.6
[M+Na]+ 227.177018 156.2
[M-H]- 203.180524 155.7
[M+NH4]+ 222.221623 174.1
[M+K]+ 243.150958 152.8
[M+H-H2O]+ 187.185060 145.5
[M+HCOO]- 249.186001 168.8
[M+CH3COO]- 263.201651 188.6
[M+Na-2H]- 225.162466 150.7
[M]+ 204.18725142 145.4
[M]- 204.18834858 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.