CID 85274

1,3-dioxan-5-ol, 2-ethenyl-, cis-

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C=CC1OCC(CO1)O

InChI

InChI=1S/C6H10O3/c1-2-6-8-3-5(7)4-9-6/h2,5-7H,1,3-4H2

InChIKey

RCORSHSFJCXHTF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 529
Patents: 130.06299 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]+	131.070266	124.4
[M+Na]+	153.052208	130.9
[M-H]-	129.055714	127.8
[M+NH4]+	148.096813	143.1
[M+K]+	169.026148	132.3
[M+H-H2O]+	113.060250	119.6
[M+HCOO]-	175.061191	143.2
[M+CH3COO]-	189.076841	167.2
[M+Na-2H]-	151.037656	132.2
[M]+	130.06244142	122.4
[M]-	130.06353858	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe