CID 13592820

1-chloroethyl cyclohexanecarboxylate

Structural Information

Molecular Formula

C₉H₁₅ClO₂

SMILES

CC(OC(=O)C1CCCCC1)Cl

InChI

InChI=1S/C9H15ClO2/c1-7(10)12-9(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3

InChIKey

HDROJQNEUPUFCP-UHFFFAOYSA-N

Compound name

1-chloroethyl cyclohexanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 190.07605 Da
Monoisotopic Mass: 3.3
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	139.7
[M+Na]+	213.06527	150.2
[M+NH4]+	208.10987	148.4
[M+K]+	229.03921	144.5
[M-H]-	189.06877	141.0
[M+Na-2H]-	211.05072	144.2
[M]+	190.07550	141.6
[M]-	190.07660	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe