CID 10986243

2-(oxan-4-ylidene)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1COCCC1=CCO

InChI

InChI=1S/C7H12O2/c8-4-1-7-2-5-9-6-3-7/h1,8H,2-6H2

InChIKey

VYZOIJLOCPZABR-UHFFFAOYSA-N

Compound name

2-(oxan-4-ylidene)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 128.08372 Da
Monoisotopic Mass: -0.2
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]+	129.09100	126.2
[M+Na]+	151.07294	131.3
[M-H]-	127.07644	128.4
[M+NH4]+	146.11754	146.1
[M+K]+	167.04688	131.1
[M+H-H2O]+	111.08098	121.2
[M+HCOO]-	173.08192	145.4
[M+CH3COO]-	187.09757	166.1
[M+Na-2H]-	149.05839	133.1
[M]+	128.08317	121.9
[M]-	128.08427	121.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe