CID 74704

Ethyl ethanesulfonate

Structural Information

Molecular Formula

C₄H₁₀O₃S

SMILES

CCOS(=O)(=O)CC

InChI

InChI=1S/C4H10O3S/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3

InChIKey

PPCXFTKZPBHXIW-UHFFFAOYSA-N

Compound name

ethyl ethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1379
Patents: 138.03506 Da
Monoisotopic Mass: 0.4
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]+	139.04234	127.8
[M+Na]+	161.02428	137.4
[M+NH4]+	156.06888	135.3
[M+K]+	176.99822	131.4
[M-H]-	137.02778	126.0
[M+Na-2H]-	159.00973	130.5
[M]+	138.03451	129.0
[M]-	138.03561	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe