CID 3021129

Tetrahydro-2h-pyran-2,3-diol

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

C1CC(C(OC1)O)O

InChI

InChI=1S/C5H10O3/c6-4-2-1-3-8-5(4)7/h4-7H,1-3H2

InChIKey

MIAXJJCAIQVKPX-UHFFFAOYSA-N

Compound name

oxane-2,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 79
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	127.5
[M-H]-	117.055720	122.8
[M+NH4]+	136.096819	141.2
[M+K]+	157.026154	127.9
[M+H-H2O]+	101.060256	116.9
[M+HCOO]-	163.061197	139.7
[M+CH3COO]-	177.076847	162.2
[M+Na-2H]-	139.037662	128.2
[M]+	118.06244742	117.2
[M]-	118.06354458	117.2

Literature stripe

literature stripe

Patent stripe

patents stripe