CID 19975066

1803589-70-9

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

C1C(NC(=O)O1)CN

InChI

InChI=1S/C4H8N2O2/c5-1-3-2-8-4(7)6-3/h3H,1-2,5H2,(H,6,7)

InChIKey

SEMURSKJWYPYKW-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 116.05858 Da
Monoisotopic Mass: -1.2
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]+	117.06586	121.2
[M+Na]+	139.04780	128.4
[M-H]-	115.05130	122.2
[M+NH4]+	134.09240	141.5
[M+K]+	155.02174	128.2
[M+H-H2O]+	99.055840	115.5
[M+HCOO]-	161.05678	142.4
[M+CH3COO]-	175.07243	165.4
[M+Na-2H]-	137.03325	126.7
[M]+	116.05803	117.0
[M]-	116.05913	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe