CID 12642021

4024-84-4

Structural Information

Molecular Formula

C₉H₁₇ClO₂

SMILES

C1CCC(CC1)OCC(CCl)O

InChI

InChI=1S/C9H17ClO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h8-9,11H,1-7H2

InChIKey

NCSVJWYAVAZOJM-UHFFFAOYSA-N

Compound name

1-chloro-3-cyclohexyloxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.0917 Da
Monoisotopic Mass: 1.9
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]+	193.09898	142.6
[M+Na]+	215.08092	146.9
[M-H]-	191.08442	143.5
[M+NH4]+	210.12552	161.9
[M+K]+	231.05486	144.2
[M+H-H2O]+	175.08896	137.9
[M+HCOO]-	237.08990	156.2
[M+CH3COO]-	251.10555	178.5
[M+Na-2H]-	213.06637	145.6
[M]+	192.09115	140.5
[M]-	192.09225	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe