CID 155820204

2567504-84-9

Structural Information

Molecular Formula

C₈H₁₃ClO₃

SMILES

COC1(CC(C1)C(=O)CCl)OC

InChI

InChI=1S/C8H13ClO3/c1-11-8(12-2)3-6(4-8)7(10)5-9/h6H,3-5H2,1-2H3

InChIKey

MYSBYIKKOYHMJT-UHFFFAOYSA-N

Compound name

2-chloro-1-(3,3-dimethoxycyclobutyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.05533 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]+	193.062606	133.5
[M+Na]+	215.044548	140.8
[M-H]-	191.048054	137.3
[M+NH4]+	210.089153	149.6
[M+K]+	231.018488	142.1
[M+H-H2O]+	175.052590	126.0
[M+HCOO]-	237.053531	150.7
[M+CH3COO]-	251.069181	185.0
[M+Na-2H]-	213.029996	138.6
[M]+	192.05478142	146.7
[M]-	192.05587858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.