CID 258618

Spiro[2.4]heptan-4-one

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1CC(=O)C2(C1)CC2

InChI

InChI=1S/C7H10O/c8-6-2-1-3-7(6)4-5-7/h1-5H2

InChIKey

JLRNROCUCFGKNE-UHFFFAOYSA-N

Compound name

spiro[2.4]heptan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 110.073166 Da
Monoisotopic Mass: 0.7
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]+	111.08044	125.9
[M+Na]+	133.06238	137.9
[M+NH4]+	128.10699	137.6
[M+K]+	149.03632	133.0
[M-H]-	109.06589	135.2
[M+Na-2H]-	131.04783	135.2
[M]+	110.07262	131.4
[M]-	110.07371	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe