CID 13197203

344329-76-6

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1COCCC1C(=O)N

InChI

InChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)

InChIKey

DGOYLVBDCVINQZ-UHFFFAOYSA-N

Compound name

oxane-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1399
Patents: 129.07898 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]+	130.08626	126.1
[M+Na]+	152.06820	130.8
[M-H]-	128.07170	129.2
[M+NH4]+	147.11280	145.8
[M+K]+	168.04214	131.7
[M+H-H2O]+	112.07624	120.5
[M+HCOO]-	174.07718	146.4
[M+CH3COO]-	188.09283	171.4
[M+Na-2H]-	150.05365	131.9
[M]+	129.07843	121.0
[M]-	129.07953	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe