CID 39869323

196403-11-9

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CC1=CC(=NO1)NC(=O)C=C

InChI

InChI=1S/C7H8N2O2/c1-3-7(10)8-6-4-5(2)11-9-6/h3-4H,1H2,2H3,(H,8,9,10)

InChIKey

WMKYFMQVPQEVFU-UHFFFAOYSA-N

Compound name

N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 152.05858 Da
Monoisotopic Mass: 0.9
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]+	153.06586	130.0
[M+Na]+	175.04780	138.6
[M-H]-	151.05130	133.4
[M+NH4]+	170.09240	150.1
[M+K]+	191.02174	138.4
[M+H-H2O]+	135.05584	123.8
[M+HCOO]-	197.05678	154.6
[M+CH3COO]-	211.07243	176.3
[M+Na-2H]-	173.03325	136.2
[M]+	152.05803	131.3
[M]-	152.05913	131.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.