CID 11062456

Spiro[2.6]nonan-4-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CCC(=O)C2(CC1)CC2

InChI

InChI=1S/C9H14O/c10-8-4-2-1-3-5-9(8)6-7-9/h1-7H2

InChIKey

IARUQYVDPDQGHY-UHFFFAOYSA-N

Compound name

spiro[2.6]nonan-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 138.10446 Da
Monoisotopic Mass: 1.8
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	123.3
[M+Na]+	161.09368	128.8
[M-H]-	137.09718	130.2
[M+NH4]+	156.13828	140.6
[M+K]+	177.06762	131.2
[M+H-H2O]+	121.10172	118.8
[M+HCOO]-	183.10266	143.0
[M+CH3COO]-	197.11831	178.1
[M+Na-2H]-	159.07913	130.3
[M]+	138.10391	118.8
[M]-	138.10501	118.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe