CID 70229

2-butoxyethyl hydrogensulphate

Structural Information

Molecular Formula

C₆H₁₄O₅S

SMILES

CCCCOCCOS(=O)(=O)O

InChI

InChI=1S/C6H14O5S/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H,7,8,9)

InChIKey

XAULISWKJQTUOD-UHFFFAOYSA-N

Compound name

2-butoxyethyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 249
Patents: 198.0562 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]+	199.063476	140.1
[M+Na]+	221.045418	147.2
[M-H]-	197.048924	139.0
[M+NH4]+	216.090023	159.0
[M+K]+	237.019358	146.3
[M+H-H2O]+	181.053460	135.2
[M+HCOO]-	243.054401	156.9
[M+CH3COO]-	257.070051	177.0
[M+Na-2H]-	219.030866	144.1
[M]+	198.05565142	146.8
[M]-	198.05674858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe