CID 138565

41894-93-3

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CCC2CC(=O)CC2C1

InChI

InChI=1S/C9H14O/c10-9-5-7-3-1-2-4-8(7)6-9/h7-8H,1-6H2

InChIKey

HAMUKWWZXAKCAU-UHFFFAOYSA-N

Compound name

1,3,3a,4,5,6,7,7a-octahydroinden-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 138.10446 Da
Monoisotopic Mass: 2.1
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]+	139.11174	130.0
[M+Na]+	161.09368	140.2
[M+NH4]+	156.13828	140.2
[M+K]+	177.06762	135.2
[M-H]-	137.09718	132.3
[M+Na-2H]-	159.07913	133.9
[M]+	138.10391	131.9
[M]-	138.10501	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe