CID 56829049

Tetrahydro-2h-pyran-3-carbonitrile

Structural Information

Molecular Formula

SMILES

C1CC(COC1)C#N

InChI

InChI=1S/C6H9NO/c7-4-6-2-1-3-8-5-6/h6H,1-3,5H2

InChIKey

LNJVMGVIXGCIEY-UHFFFAOYSA-N

Compound name

oxane-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 111.06841 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]+	112.07569	125.3
[M+Na]+	134.05763	136.3
[M+NH4]+	129.10223	131.1
[M+K]+	150.03157	127.5
[M-H]-	110.06113	121.4
[M+Na-2H]-	132.04308	128.5
[M]+	111.06786	124.9
[M]-	111.06896	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe