CID 13082845

87005-17-2

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

CC(=O)C1=CN=C(O1)N

InChI

InChI=1S/C5H6N2O2/c1-3(8)4-2-7-5(6)9-4/h2H,1H3,(H2,6,7)

InChIKey

BXULNSJILNIAEU-UHFFFAOYSA-N

Compound name

1-(2-amino-1,3-oxazol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 126.04293 Da
Monoisotopic Mass: 0.0
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]+	127.05021	121.9
[M+Na]+	149.03215	131.0
[M-H]-	125.03565	125.0
[M+NH4]+	144.07675	142.8
[M+K]+	165.00609	131.5
[M+H-H2O]+	109.04019	116.0
[M+HCOO]-	171.04113	146.3
[M+CH3COO]-	185.05678	171.1
[M+Na-2H]-	147.01760	128.1
[M]+	126.04238	122.2
[M]-	126.04348	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe