CID 18356761

2-(3-methoxypropoxy)ethan-1-ol

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

COCCCOCCO

InChI

InChI=1S/C6H14O3/c1-8-4-2-5-9-6-3-7/h7H,2-6H2,1H3

InChIKey

YYIOSNBPOLUPST-UHFFFAOYSA-N

Compound name

2-(3-methoxypropoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 134.0943 Da
Monoisotopic Mass: -0.4
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]+	135.10158	128.3
[M+Na]+	157.08352	135.0
[M-H]-	133.08702	127.0
[M+NH4]+	152.12812	149.6
[M+K]+	173.05746	135.3
[M+H-H2O]+	117.09156	123.7
[M+HCOO]-	179.09250	151.3
[M+CH3COO]-	193.10815	170.5
[M+Na-2H]-	155.06897	134.9
[M]+	134.09375	132.0
[M]-	134.09485	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe