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]+ 221.189986 153.4
[M+Na]+ 243.171928 159.3
[M-H]- 219.175434 158.6
[M+NH4]+ 238.216533 176.4
[M+K]+ 259.145868 156.0
[M+H-H2O]+ 203.179970 148.8
[M+HCOO]- 265.180911 170.5
[M+CH3COO]- 279.196561 190.6
[M+Na-2H]- 241.157376 152.1
[M]+ 220.18216142 147.9
[M]- 220.18325858 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