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	126.0
[M+Na]+	155.06786	135.5
[M+NH4]+	150.11246	134.0
[M+K]+	171.04180	133.3
[M-H]-	131.07136	128.8
[M+Na-2H]-	153.05331	128.9
[M]+	132.07809	127.9
[M]-	132.07919	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe