CID 13804281

108512-00-1

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

CC(=O)NC1=CON=C1

InChI

InChI=1S/C5H6N2O2/c1-4(8)7-5-2-6-9-3-5/h2-3H,1H3,(H,7,8)

InChIKey

RPMDGHXXKRVQMU-UHFFFAOYSA-N

Compound name

N-(1,2-oxazol-4-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 126.04293 Da
Monoisotopic Mass: -0.5
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	122.0
[M+Na]+	149.03215	130.1
[M-H]-	125.03565	125.3
[M+NH4]+	144.07675	142.8
[M+K]+	165.00609	131.1
[M+H-H2O]+	109.04019	115.8
[M+HCOO]-	171.04113	147.0
[M+CH3COO]-	185.05678	170.0
[M+Na-2H]-	147.01760	129.9
[M]+	126.04238	122.8
[M]-	126.04348	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe