CID 13062687

2-methyl-1,3-dioxan-5-ol

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CC1OCC(CO1)O

InChI

InChI=1S/C5H10O3/c1-4-7-2-5(6)3-8-4/h4-6H,2-3H2,1H3

InChIKey

RLVMGTURHNLOJX-UHFFFAOYSA-N

Compound name

2-methyl-1,3-dioxan-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 76
Patents: 118.062996 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]+	119.070272	121.1
[M+Na]+	141.052214	127.7
[M-H]-	117.055720	124.6
[M+NH4]+	136.096819	140.4
[M+K]+	157.026154	129.9
[M+H-H2O]+	101.060256	116.4
[M+HCOO]-	163.061197	140.0
[M+CH3COO]-	177.076847	165.0
[M+Na-2H]-	139.037662	129.4
[M]+	118.06244742	119.4
[M]-	118.06354458	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe