CID 19846

1-isopropoxy-2-propanol

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CC(C)OCC(C)O

InChI

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

InChIKey

AFHJYKBGDDJSRR-UHFFFAOYSA-N

Compound name

1-propan-2-yloxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 4579
Patents: 118.09938 Da
Monoisotopic Mass: 0.4
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	125.1
[M+Na]+	141.08860	134.5
[M+NH4]+	136.13320	132.8
[M+K]+	157.06254	130.6
[M-H]-	117.09210	123.8
[M+Na-2H]-	139.07405	128.0
[M]+	118.09883	125.8
[M]-	118.09993	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe