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: 299
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]+	135.101576	128.3
[M+Na]+	157.083518	135.0
[M-H]-	133.087024	127.0
[M+NH4]+	152.128123	149.6
[M+K]+	173.057458	135.3
[M+H-H2O]+	117.091560	123.7
[M+HCOO]-	179.092501	151.3
[M+CH3COO]-	193.108151	170.5
[M+Na-2H]-	155.068966	134.9
[M]+	134.09375142	132.0
[M]-	134.09484858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe