CID 139597955

Schembl30582112

Structural Information

Molecular Formula

C₁₅H₃₂O₇S

SMILES

CCCCCCCCCOCCOCCOCCOS(=O)(=O)O

InChI

InChI=1S/C15H32O7S/c1-2-3-4-5-6-7-8-9-19-10-11-20-12-13-21-14-15-22-23(16,17)18/h2-15H2,1H3,(H,16,17,18)

InChIKey

XZWAGLMBKFXRMZ-UHFFFAOYSA-N

Compound name

2-[2-(2-nonoxyethoxy)ethoxy]ethyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 356.1869 Da
Monoisotopic Mass: 2.7
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]+	357.194176	184.0
[M+Na]+	379.176118	186.7
[M-H]-	355.179624	181.0
[M+NH4]+	374.220723	196.3
[M+K]+	395.150058	184.8
[M+H-H2O]+	339.184160	176.9
[M+HCOO]-	401.185101	198.4
[M+CH3COO]-	415.200751	207.9
[M+Na-2H]-	377.161566	184.5
[M]+	356.18635142	196.9
[M]-	356.18744858	196.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe