CID 85288994

8-acetoxy-4-acoren-3-one

Structural Information

Molecular Formula
C17H26O3
SMILES
CC1CC(C(C12CC=C(C(=O)C2)C)C(C)C)OC(=O)C
InChI
InChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,10,12,15-16H,7-9H2,1-5H3
InChIKey
LDEHIZSFHFOEKN-UHFFFAOYSA-N
Compound name
(1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.195476 165.2
[M+Na]+ 301.177418 171.7
[M-H]- 277.180924 170.7
[M+NH4]+ 296.222023 186.0
[M+K]+ 317.151358 169.5
[M+H-H2O]+ 261.185460 160.6
[M+HCOO]- 323.186401 182.5
[M+CH3COO]- 337.202051 202.5
[M+Na-2H]- 299.162866 162.5
[M]+ 278.18765142 164.6
[M]- 278.18874858 164.6
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.