CID 85308

Cyclohexyl methanesulfonate

Structural Information

Molecular Formula

C₇H₁₄O₃S

SMILES

CS(=O)(=O)OC1CCCCC1

InChI

InChI=1S/C7H14O3S/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

KOGOBKOHQTZGIS-UHFFFAOYSA-N

Compound name

cyclohexyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 837
Patents: 178.06636 Da
Monoisotopic Mass: 1.5
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]+	179.07364	136.0
[M+Na]+	201.05558	142.0
[M-H]-	177.05908	139.1
[M+NH4]+	196.10018	156.3
[M+K]+	217.02952	141.0
[M+H-H2O]+	161.06362	130.9
[M+HCOO]-	223.06456	151.1
[M+CH3COO]-	237.08021	175.0
[M+Na-2H]-	199.04103	139.8
[M]+	178.06581	135.6
[M]-	178.06691	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe