CID 8885

Octyl hydrogen sulfate

Structural Information

Molecular Formula

C₈H₁₈O₄S

SMILES

CCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)

InChIKey

UZZYXUGECOQHPU-UHFFFAOYSA-N

Compound name

octyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 115
References: 15500
Patents: 210.09258 Da
Monoisotopic Mass: 2.6
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]+	211.09986	147.9
[M+Na]+	233.08180	155.6
[M+NH4]+	228.12640	153.7
[M+K]+	249.05574	149.5
[M-H]-	209.08530	144.8
[M+Na-2H]-	231.06725	148.6
[M]+	210.09203	148.2
[M]-	210.09313	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe