CID 101584164

Thiol-peg5-alcohol

Structural Information

Molecular Formula

C₁₀H₂₂O₅S

SMILES

C(COCCOCCOCCOCCS)O

InChI

InChI=1S/C10H22O5S/c11-1-2-12-3-4-13-5-6-14-7-8-15-9-10-16/h11,16H,1-10H2

InChIKey

PPCQZRZMZBOKIX-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 254.11879 Da
Monoisotopic Mass: -0.8
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	157.4
[M+Na]+	277.10801	161.9
[M-H]-	253.11151	155.3
[M+NH4]+	272.15261	174.1
[M+K]+	293.08195	160.9
[M+H-H2O]+	237.11605	151.0
[M+HCOO]-	299.11699	174.2
[M+CH3COO]-	313.13264	190.2
[M+Na-2H]-	275.09346	158.9
[M]+	254.11824	167.5
[M]-	254.11934	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe