CID 13603586

Chloromethyl cyclohexyl carbonate

Structural Information

Molecular Formula

C₈H₁₃ClO₃

SMILES

C1CCC(CC1)OC(=O)OCCl

InChI

InChI=1S/C8H13ClO3/c9-6-11-8(10)12-7-4-2-1-3-5-7/h7H,1-6H2

InChIKey

DKXDLGITOKUSLC-UHFFFAOYSA-N

Compound name

chloromethyl cyclohexyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 221
Patents: 192.05533 Da
Monoisotopic Mass: 3.0
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]+	193.062606	139.2
[M+Na]+	215.044548	144.8
[M-H]-	191.048054	141.9
[M+NH4]+	210.089153	159.3
[M+K]+	231.018488	143.3
[M+H-H2O]+	175.052590	134.5
[M+HCOO]-	237.053531	155.2
[M+CH3COO]-	251.069181	178.0
[M+Na-2H]-	213.029996	143.4
[M]+	192.05478142	139.3
[M]-	192.05587858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe