CID 20611890

55866-85-8

Structural Information

Molecular Formula

C₅H₁₀O₅S

SMILES

C=CCOCCOS(=O)(=O)O

InChI

InChI=1S/C5H10O5S/c1-2-3-9-4-5-10-11(6,7)8/h2H,1,3-5H2,(H,6,7,8)

InChIKey

UBRXRXNNNOXTEJ-UHFFFAOYSA-N

Compound name

2-prop-2-enoxyethyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 182.02489 Da
Monoisotopic Mass: -0.3
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]+	183.03217	137.8
[M+Na]+	205.01411	145.6
[M+NH4]+	200.05871	143.2
[M+K]+	220.98805	140.7
[M-H]-	181.01761	134.0
[M+Na-2H]-	202.99956	138.6
[M]+	182.02434	137.8
[M]-	182.02544	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe