CID 10534645

1638763-83-3

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

C1C(OC(=O)N1)CN

InChI

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

InChIKey

HUHZAMBLEKHDBP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 367
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]+	117.065856	121.2
[M+Na]+	139.047798	128.4
[M-H]-	115.051304	122.2
[M+NH4]+	134.092403	141.5
[M+K]+	155.021738	128.2
[M+H-H2O]+	99.055840	115.5
[M+HCOO]-	161.056781	142.4
[M+CH3COO]-	175.072431	165.4
[M+Na-2H]-	137.033246	126.7
[M]+	116.05803142	117.0
[M]-	116.05912858	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe