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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.143446	158.0
[M+Na]+	287.125388	165.5
[M-H]-	263.128894	163.4
[M+NH4]+	282.169993	179.4
[M+K]+	303.099328	163.6
[M+H-H2O]+	247.133430	153.1
[M+HCOO]-	309.134371	173.8
[M+CH3COO]-	323.150021	197.2
[M+Na-2H]-	285.110836	161.3
[M]+	264.13562142	157.9
[M]-	264.13671858	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.