CID 13661813

Spiro[4.4]non-3-en-2-one

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

C1CCC2(C1)CC(=O)C=C2

InChI

InChI=1S/C9H12O/c10-8-3-6-9(7-8)4-1-2-5-9/h3,6H,1-2,4-5,7H2

InChIKey

ZZOFYRXWBRWEFJ-UHFFFAOYSA-N

Compound name

spiro[4.4]non-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 136.08882 Da
Monoisotopic Mass: 2.3
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]+	137.09610	130.8
[M+Na]+	159.07804	140.6
[M+NH4]+	154.12264	142.1
[M+K]+	175.05198	135.8
[M-H]-	135.08154	133.3
[M+Na-2H]-	157.06349	137.4
[M]+	136.08827	132.8
[M]-	136.08937	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe