CID 171150

Azanium;2-octoxyethyl sulfate

Structural Information

Molecular Formula

C₁₀H₂₂O₅S

SMILES

CCCCCCCCOCCOS(=O)(=O)O

InChI

InChI=1S/C10H22O5S/c1-2-3-4-5-6-7-8-14-9-10-15-16(11,12)13/h2-10H2,1H3,(H,11,12,13)

InChIKey

OZAZURDYKFPZQX-UHFFFAOYSA-N

Compound name

2-octoxyethyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 254.11879 Da
Monoisotopic Mass: 2.4
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]+	255.12607	157.7
[M+Na]+	277.10801	163.1
[M-H]-	253.11151	155.9
[M+NH4]+	272.15261	174.4
[M+K]+	293.08195	161.2
[M+H-H2O]+	237.11605	152.1
[M+HCOO]-	299.11699	173.3
[M+CH3COO]-	313.13264	189.0
[M+Na-2H]-	275.09346	159.9
[M]+	254.11824	165.9
[M]-	254.11934	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe