CID 15558293

1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1CC(=O)C(C12CC=C(C(=O)C2)C)C(C)C
InChI
InChI=1S/C15H22O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11,14H,6-8H2,1-4H3
InChIKey
SXHQJMKFQDMBIW-UHFFFAOYSA-N
Compound name
1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

234.16199 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 153.0
[M+Na]+ 257.15121 160.7
[M-H]- 233.15471 158.9
[M+NH4]+ 252.19581 175.7
[M+K]+ 273.12515 157.8
[M+H-H2O]+ 217.15925 148.6
[M+HCOO]- 279.16019 171.8
[M+CH3COO]- 293.17584 194.1
[M+Na-2H]- 255.13666 152.4
[M]+ 234.16144 151.0
[M]- 234.16254 151.0
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