CID 14433042

O-formyloreadone

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1(CCC(=O)C2C1CC=C3C2C(OC3)OC=O)C
InChI
InChI=1S/C15H20O4/c1-15(2)6-5-11(17)13-10(15)4-3-9-7-18-14(12(9)13)19-8-16/h3,8,10,12-14H,4-7H2,1-2H3
InChIKey
MIBOGOAYMHICPV-UHFFFAOYSA-N
Compound name
(6,6-dimethyl-9-oxo-1,3,5,5a,7,8,9a,9b-octahydrobenzo[g][2]benzofuran-1-yl) formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 158.0
[M+Na]+ 287.12539 165.5
[M-H]- 263.12889 163.4
[M+NH4]+ 282.16999 179.4
[M+K]+ 303.09933 163.6
[M+H-H2O]+ 247.13343 153.1
[M+HCOO]- 309.13437 173.8
[M+CH3COO]- 323.15002 197.2
[M+Na-2H]- 285.11084 161.3
[M]+ 264.13562 157.9
[M]- 264.13672 157.9
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.