CID 6429151

Refchem:1092710

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

13
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

patents stripe