CID 64984929

2155856-45-2

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1COCCC1C(=O)CN

InChI

InChI=1S/C7H13NO2/c8-5-7(9)6-1-3-10-4-2-6/h6H,1-5,8H2

InChIKey

OIFHMSQRTOGSIW-UHFFFAOYSA-N

Compound name

2-amino-1-(oxan-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 143.09464 Da
Monoisotopic Mass: -0.7
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]+	144.101916	130.8
[M+Na]+	166.083858	135.1
[M-H]-	142.087364	133.7
[M+NH4]+	161.128463	149.9
[M+K]+	182.057798	135.7
[M+H-H2O]+	126.091900	125.0
[M+HCOO]-	188.092841	150.7
[M+CH3COO]-	202.108491	174.5
[M+Na-2H]-	164.069306	136.0
[M]+	143.09409142	126.0
[M]-	143.09518858	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe