CID 11848103

Chloromethyl 2-cyclohexylacetate

Structural Information

Molecular Formula

C₉H₁₅ClO₂

SMILES

C1CCC(CC1)CC(=O)OCCl

InChI

InChI=1S/C9H15ClO2/c10-7-12-9(11)6-8-4-2-1-3-5-8/h8H,1-7H2

InChIKey

AKJJZVNFZRSROB-UHFFFAOYSA-N

Compound name

chloromethyl 2-cyclohexylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 190.07605 Da
Monoisotopic Mass: 3.5
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]+	191.08333	139.8
[M+Na]+	213.06527	150.6
[M+NH4]+	208.10987	148.6
[M+K]+	229.03921	144.0
[M-H]-	189.06877	141.2
[M+Na-2H]-	211.05072	144.6
[M]+	190.07550	141.8
[M]-	190.07660	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe