CID 19083324

Ppg-26-buteth-26

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CCCCOCC(C)OCCO

InChI

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

InChIKey

AAOFEMJZTYQZRH-UHFFFAOYSA-N

Compound name

2-(1-butoxypropan-2-yloxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 684
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]+	177.14853	142.8
[M+Na]+	199.13047	148.1
[M-H]-	175.13397	141.1
[M+NH4]+	194.17507	162.5
[M+K]+	215.10441	148.1
[M+H-H2O]+	159.13851	137.7
[M+HCOO]-	221.13945	163.9
[M+CH3COO]-	235.15510	180.3
[M+Na-2H]-	197.11592	146.5
[M]+	176.14070	147.1
[M]-	176.14180	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe