CID 11970929

85391-14-6

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

C1COC(O1)CCCO

InChI

InChI=1S/C6H12O3/c7-3-1-2-6-8-4-5-9-6/h6-7H,1-5H2

InChIKey

UKTATNSTZBXLDE-UHFFFAOYSA-N

Compound name

3-(1,3-dioxolan-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 132.07864 Da
Monoisotopic Mass: -0.1
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]+	133.08592	126.2
[M+Na]+	155.06786	132.3
[M-H]-	131.07136	129.1
[M+NH4]+	150.11246	146.4
[M+K]+	171.04180	134.1
[M+H-H2O]+	115.07590	121.7
[M+HCOO]-	177.07684	146.8
[M+CH3COO]-	191.09249	166.6
[M+Na-2H]-	153.05331	133.3
[M]+	132.07809	126.5
[M]-	132.07919	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe