CID 107196

1-propanol, 2-(1-methylethoxy)-

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CC(C)OC(C)CO

InChI

InChI=1S/C6H14O2/c1-5(2)8-6(3)4-7/h5-7H,4H2,1-3H3

InChIKey

ZFEKANLLFQEKED-UHFFFAOYSA-N

Compound name

2-propan-2-yloxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1603
Patents: 118.09938 Da
Monoisotopic Mass: 0.6
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	126.3
[M+Na]+	141.08860	132.7
[M-H]-	117.09210	125.3
[M+NH4]+	136.13320	148.3
[M+K]+	157.06254	133.4
[M+H-H2O]+	101.09664	122.1
[M+HCOO]-	163.09758	147.1
[M+CH3COO]-	177.11323	170.2
[M+Na-2H]-	139.07405	130.3
[M]+	118.09883	127.3
[M]-	118.09993	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe