CID 70471

Butyl sulfate

Structural Information

Molecular Formula

C₄H₁₀O₄S

SMILES

CCCCOS(=O)(=O)O

InChI

InChI=1S/C4H10O4S/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H,5,6,7)

InChIKey

ZTHQBROSBNNGPU-UHFFFAOYSA-N

Compound name

butyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5968
Patents: 154.02998 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]+	155.03726	130.9
[M+Na]+	177.01920	139.5
[M+NH4]+	172.06380	137.4
[M+K]+	192.99314	134.3
[M-H]-	153.02270	128.0
[M+Na-2H]-	175.00465	132.6
[M]+	154.02943	131.5
[M]-	154.03053	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe