CID 15286

1-propoxy-2-propanol

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CCCOCC(C)O

InChI

InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3

InChIKey

FENFUOGYJVOCRY-UHFFFAOYSA-N

Compound name

1-propoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 42905
Patents: 118.09938 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]+	119.10666	124.8
[M+Na]+	141.08860	134.5
[M+NH4]+	136.13320	132.6
[M+K]+	157.06254	129.7
[M-H]-	117.09210	123.7
[M+Na-2H]-	139.07405	128.1
[M]+	118.09883	125.6
[M]-	118.09993	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe