CID 24232

2-tert-butoxyethanol

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CC(C)(C)OCCO

InChI

InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3

InChIKey

BDLXTDLGTWNUFM-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 13868
Patents: 118.09938 Da
Monoisotopic Mass: 0.2
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]+	119.10666	125.7
[M+Na]+	141.08860	133.1
[M-H]-	117.09210	124.9
[M+NH4]+	136.13320	148.0
[M+K]+	157.06254	133.3
[M+H-H2O]+	101.09664	122.2
[M+HCOO]-	163.09758	147.0
[M+CH3COO]-	177.11323	168.1
[M+Na-2H]-	139.07405	133.0
[M]+	118.09883	127.5
[M]-	118.09993	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe