CID 146049026

2021455-69-4

Structural Information

Molecular Formula

C₁₀H₁₅ClO

SMILES

C1CC2(CCC1C(=O)CCl)CC2

InChI

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

InChIKey

BAZIQWKBSRCUNX-UHFFFAOYSA-N

Compound name

2-chloro-1-spiro[2.5]octan-6-ylethanone

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	139.7
[M+Na]+	209.07037	147.5
[M-H]-	185.07387	145.5
[M+NH4]+	204.11497	157.4
[M+K]+	225.04431	144.6
[M+H-H2O]+	169.07841	135.1
[M+HCOO]-	231.07935	154.7
[M+CH3COO]-	245.09500	183.1
[M+Na-2H]-	207.05582	144.7
[M]+	186.08060	139.9
[M]-	186.08170	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.