CID 37197

35629-36-8

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CC1=COC(=N1)NC(=O)C

InChI

InChI=1S/C6H8N2O2/c1-4-3-10-6(7-4)8-5(2)9/h3H,1-2H3,(H,7,8,9)

InChIKey

KRQWFVYRQYTWRH-UHFFFAOYSA-N

Compound name

N-(4-methyl-1,3-oxazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 140.05858 Da
Monoisotopic Mass: 0.2
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]+	141.065856	126.4
[M+Na]+	163.047798	135.2
[M-H]-	139.051304	130.0
[M+NH4]+	158.092403	147.1
[M+K]+	179.021738	135.8
[M+H-H2O]+	123.055840	120.4
[M+HCOO]-	185.056781	151.1
[M+CH3COO]-	199.072431	174.2
[M+Na-2H]-	161.033246	133.1
[M]+	140.05803142	128.1
[M]-	140.05912858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe