CID 139595394

Ns00095007

Structural Information

Molecular Formula

C₁₁H₂₄O₅S

SMILES

CCCCCCCCCOCCOS(=O)(=O)O

InChI

InChI=1S/C11H24O5S/c1-2-3-4-5-6-7-8-9-15-10-11-16-17(12,13)14/h2-11H2,1H3,(H,12,13,14)

InChIKey

IGRWMWYLEXIARI-UHFFFAOYSA-N

Compound name

2-nonoxyethyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 268.13443 Da
Monoisotopic Mass: 3.0
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]+	269.141706	162.1
[M+Na]+	291.123648	167.0
[M-H]-	267.127154	160.0
[M+NH4]+	286.168253	178.3
[M+K]+	307.097588	164.9
[M+H-H2O]+	251.131690	156.2
[M+HCOO]-	313.132631	177.3
[M+CH3COO]-	327.148281	192.0
[M+Na-2H]-	289.109096	163.8
[M]+	268.13388142	170.7
[M]-	268.13497858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe