CID 44151853

83270-35-3

Structural Information

Molecular Formula

C₁₁H₂₄O₆

SMILES

COCCOCC(OCCOC)OCCOC

InChI

InChI=1S/C11H24O6/c1-12-4-7-15-10-11(16-8-5-13-2)17-9-6-14-3/h11H,4-10H2,1-3H3

InChIKey

STJYDCCUAPYRKP-UHFFFAOYSA-N

Compound name

1,1,2-tris(2-methoxyethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 252.15729 Da
Monoisotopic Mass: -0.5
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]+	253.16457	158.5
[M+Na]+	275.14651	163.0
[M-H]-	251.15001	157.7
[M+NH4]+	270.19111	175.5
[M+K]+	291.12045	165.0
[M+H-H2O]+	235.15455	151.9
[M+HCOO]-	297.15549	181.0
[M+CH3COO]-	311.17114	194.9
[M+Na-2H]-	273.13196	161.8
[M]+	252.15674	169.8
[M]-	252.15784	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe