CID 548835

Spiro[2.4]heptan-5-one

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1CC2(CC2)CC1=O

InChI

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

InChIKey

QUIXSNGBBKGHRP-UHFFFAOYSA-N

Compound name

spiro[2.4]heptan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 110.073166 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]+	111.080442	122.7
[M+Na]+	133.062384	132.4
[M-H]-	109.065890	129.5
[M+NH4]+	128.106989	144.4
[M+K]+	149.036324	131.1
[M+H-H2O]+	93.070426	118.3
[M+HCOO]-	155.071367	145.7
[M+CH3COO]-	169.087017	169.8
[M+Na-2H]-	131.047832	129.6
[M]+	110.07261742	122.7
[M]-	110.07371458	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe