CID 3085625

2-isopropylidene-7,9-dimethylspiro(4.5)decan-8-one

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC2(CCC(=C(C)C)C2)C[C@H](C1=O)C
InChI
InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)7-11(3)14(16)12(4)8-15/h11-12H,5-9H2,1-4H3/t11-,12-/m1/s1
InChIKey
LGFHUTHIGBHMDA-VXGBXAGGSA-N
Compound name
(7R,9R)-7,9-dimethyl-3-propan-2-ylidenespiro[4.5]decan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.4
[M+Na]+ 243.17193 159.3
[M-H]- 219.17543 158.6
[M+NH4]+ 238.21653 176.4
[M+K]+ 259.14587 156.0
[M+H-H2O]+ 203.17997 148.8
[M+HCOO]- 265.18091 170.5
[M+CH3COO]- 279.19656 190.6
[M+Na-2H]- 241.15738 152.1
[M]+ 220.18216 147.9
[M]- 220.18326 147.9
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

patents stripe