CID 154814427

2551118-76-2

Structural Information

Molecular Formula

C₁₀H₁₅ClO

SMILES

C1CC(C2(C1)CC2)CC(=O)CCl

InChI

InChI=1S/C10H15ClO/c11-7-9(12)6-8-2-1-3-10(8)4-5-10/h8H,1-7H2

InChIKey

RETPPNQNJPYJRL-UHFFFAOYSA-N

Compound name

1-chloro-3-spiro[2.4]heptan-7-ylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.08115 Da
Monoisotopic Mass: 3.1
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]+	187.08843	140.5
[M+Na]+	209.07037	149.1
[M-H]-	185.07387	146.3
[M+NH4]+	204.11497	159.8
[M+K]+	225.04431	145.5
[M+H-H2O]+	169.07841	136.2
[M+HCOO]-	231.07935	157.1
[M+CH3COO]-	245.09500	182.9
[M+Na-2H]-	207.05582	144.1
[M]+	186.08060	142.5
[M]-	186.08170	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.