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]+ 279.19548 165.2
[M+Na]+ 301.17742 171.7
[M-H]- 277.18092 170.7
[M+NH4]+ 296.22202 186.0
[M+K]+ 317.15136 169.5
[M+H-H2O]+ 261.18546 160.6
[M+HCOO]- 323.18640 182.5
[M+CH3COO]- 337.20205 202.5
[M+Na-2H]- 299.16287 162.5
[M]+ 278.18765 164.6
[M]- 278.18875 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.