CID 325065

7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1h-indene-2,3'-oxolane]-2'-one

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1CCCC2C1(CC3(C2)C(=C)COC3=O)C
InChI
InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3
InChIKey
OVXAYHNZXBOVPV-UHFFFAOYSA-N
Compound name
7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 155.0
[M+Na]+ 257.15121 162.4
[M-H]- 233.15471 161.7
[M+NH4]+ 252.19581 180.6
[M+K]+ 273.12515 159.4
[M+H-H2O]+ 217.15925 151.3
[M+HCOO]- 279.16019 171.4
[M+CH3COO]- 293.17584 190.5
[M+Na-2H]- 255.13666 156.1
[M]+ 234.16144 150.7
[M]- 234.16254 150.7
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

No patent data available for this compound.