CID 65356708

1372875-59-6

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

C[C@@H](C1COCCO1)O

InChI

InChI=1S/C6H12O3/c1-5(7)6-4-8-2-3-9-6/h5-7H,2-4H2,1H3/t5-,6?/m0/s1

InChIKey

RZHOKKNAPROOJQ-ZBHICJROSA-N

Compound name

(1S)-1-(1,4-dioxan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 132.07864 Da
Monoisotopic Mass: -0.5
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	126.7
[M+Na]+	155.06786	131.6
[M-H]-	131.07136	129.7
[M+NH4]+	150.11246	145.0
[M+K]+	171.04180	134.1
[M+H-H2O]+	115.07590	121.6
[M+HCOO]-	177.07684	144.2
[M+CH3COO]-	191.09249	167.7
[M+Na-2H]-	153.05331	133.8
[M]+	132.07809	124.3
[M]-	132.07919	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe