CID 12514388

4-methylideneoxan-3-ol

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C=C1CCOCC1O

InChI

InChI=1S/C6H10O2/c1-5-2-3-8-4-6(5)7/h6-7H,1-4H2

InChIKey

RWWSYSZLZXITSJ-UHFFFAOYSA-N

Compound name

4-methylideneoxan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 114.06808 Da
Monoisotopic Mass: -0.3
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]+	115.075356	120.8
[M+Na]+	137.057298	127.3
[M-H]-	113.060804	123.5
[M+NH4]+	132.101903	141.6
[M+K]+	153.031238	127.3
[M+H-H2O]+	97.065340	116.3
[M+HCOO]-	159.066281	140.3
[M+CH3COO]-	173.081931	164.8
[M+Na-2H]-	135.042746	127.6
[M]+	114.06753142	116.7
[M]-	114.06862858	116.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe