CID 169461

32687-84-6

Structural Information

Molecular Formula

C₁₀H₂₂O₄S

SMILES

CCCCCCCCC(C)OS(=O)(=O)O

InChI

InChI=1S/C10H22O4S/c1-3-4-5-6-7-8-9-10(2)14-15(11,12)13/h10H,3-9H2,1-2H3,(H,11,12,13)

InChIKey

BZWCLBOVBJNDLQ-UHFFFAOYSA-N

Compound name

decan-2-yl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 238.12389 Da
Monoisotopic Mass: 3.6
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]+	239.13117	155.1
[M+Na]+	261.11311	160.4
[M-H]-	237.11661	153.4
[M+NH4]+	256.15771	172.5
[M+K]+	277.08705	158.5
[M+H-H2O]+	221.12115	149.8
[M+HCOO]-	283.12209	169.3
[M+CH3COO]-	297.13774	187.8
[M+Na-2H]-	259.09856	155.9
[M]+	238.12334	161.2
[M]-	238.12444	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe