CID 283992

(1,3-dioxan-5-yl)methanol

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

C1C(COCO1)CO

InChI

InChI=1S/C5H10O3/c6-1-5-2-7-4-8-3-5/h5-6H,1-4H2

InChIKey

HILNBNGLDIFMAH-UHFFFAOYSA-N

Compound name

1,3-dioxan-5-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 118.062996 Da
Monoisotopic Mass: -0.6
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]+	119.070272	121.4
[M+Na]+	141.052214	126.9
[M-H]-	117.055720	124.4
[M+NH4]+	136.096819	140.3
[M+K]+	157.026154	129.2
[M+H-H2O]+	101.060256	116.4
[M+HCOO]-	163.061197	140.2
[M+CH3COO]-	177.076847	163.8
[M+Na-2H]-	139.037662	130.3
[M]+	118.06244742	119.2
[M]-	118.06354458	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe