CID 62903

2-(2-butoxyethoxy)propanol

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CCCCOCCOC(C)CO

InChI

InChI=1S/C9H20O3/c1-3-4-5-11-6-7-12-9(2)8-10/h9-10H,3-8H2,1-2H3

InChIKey

XGSQEQCOQAAOHE-UHFFFAOYSA-N

Compound name

2-(2-butoxyethoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 230
Patents: 176.14125 Da
Monoisotopic Mass: 0.9
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]+	177.148526	142.8
[M+Na]+	199.130468	148.1
[M-H]-	175.133974	141.1
[M+NH4]+	194.175073	162.5
[M+K]+	215.104408	148.1
[M+H-H2O]+	159.138510	137.7
[M+HCOO]-	221.139451	163.9
[M+CH3COO]-	235.155101	180.3
[M+Na-2H]-	197.115916	146.5
[M]+	176.14070142	147.1
[M]-	176.14179858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe