CID 3019577

(2-butoxyethoxy)methanol

Structural Information

Molecular Formula

C₇H₁₆O₃

SMILES

CCCCOCCOCO

InChI

InChI=1S/C7H16O3/c1-2-3-4-9-5-6-10-7-8/h8H,2-7H2,1H3

InChIKey

CUZYKBDJOKMPFH-UHFFFAOYSA-N

Compound name

2-butoxyethoxymethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 148.10994 Da
Monoisotopic Mass: 0.7
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]+	149.117216	132.9
[M+Na]+	171.099158	139.2
[M-H]-	147.102664	131.5
[M+NH4]+	166.143763	153.7
[M+K]+	187.073098	139.3
[M+H-H2O]+	131.107200	128.1
[M+HCOO]-	193.108141	155.6
[M+CH3COO]-	207.123791	173.5
[M+Na-2H]-	169.084606	138.9
[M]+	148.10939142	137.0
[M]-	148.11048858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe