CID 13758951

Spiro[4.5]dec-3-en-2-one

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

C1CCC2(CC1)CC(=O)C=C2

InChI

InChI=1S/C10H14O/c11-9-4-7-10(8-9)5-2-1-3-6-10/h4,7H,1-3,5-6,8H2

InChIKey

LFNCHXFQVBSCOG-UHFFFAOYSA-N

Compound name

spiro[4.5]dec-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 150.10446 Da
Monoisotopic Mass: 2.8
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]+	151.11174	134.6
[M+Na]+	173.09368	145.4
[M+NH4]+	168.13828	146.2
[M+K]+	189.06762	138.2
[M-H]-	149.09718	137.9
[M+Na-2H]-	171.07913	142.0
[M]+	150.10391	137.1
[M]-	150.10501	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe