CID 15953

Butyl methanesulfonate

Structural Information

Molecular Formula

C₅H₁₂O₃S

SMILES

CCCCOS(=O)(=O)C

InChI

InChI=1S/C5H12O3S/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3

InChIKey

LFLBHTZRLVHUQC-UHFFFAOYSA-N

Compound name

butyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1257
Patents: 152.05072 Da
Monoisotopic Mass: 0.9
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]+	153.05800	132.1
[M+Na]+	175.03994	141.5
[M+NH4]+	170.08454	139.4
[M+K]+	191.01388	135.2
[M-H]-	151.04344	130.2
[M+Na-2H]-	173.02539	134.5
[M]+	152.05017	133.2
[M]-	152.05127	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe