CID 92739

108-61-2

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CC(CO)OC(C)CO

InChI

InChI=1S/C6H14O3/c1-5(3-7)9-6(2)4-8/h5-8H,3-4H2,1-2H3

InChIKey

VMKMZRBPOSNUMX-UHFFFAOYSA-N

Compound name

2-(1-hydroxypropan-2-yloxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11071
Patents: 134.0943 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]+	135.10158	128.6
[M+Na]+	157.08352	136.9
[M+NH4]+	152.12812	135.2
[M+K]+	173.05746	133.8
[M-H]-	133.08702	126.1
[M+Na-2H]-	155.06897	130.3
[M]+	134.09375	128.6
[M]-	134.09485	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe