CID 137942679

6-ethynylspiro[3.3]heptan-2-one

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

C#CC1CC2(C1)CC(=O)C2

InChI

InChI=1S/C9H10O/c1-2-7-3-9(4-7)5-8(10)6-9/h1,7H,3-6H2

InChIKey

FGVCFSXLCSEIKX-UHFFFAOYSA-N

Compound name

6-ethynylspiro[3.3]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 134.07317 Da
Monoisotopic Mass: 1.0
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]+	135.08045	131.3
[M+Na]+	157.06239	134.2
[M+NH4]+	152.10699	131.2
[M+K]+	173.03633	128.3
[M-H]-	133.06589	122.0
[M+Na-2H]-	155.04784	130.9
[M]+	134.07262	126.6
[M]-	134.07372	126.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.