CID 323639

23008-68-6

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

C1=CC=C2C(=C1)C(=NO2)CC(=O)N

InChI

InChI=1S/C9H8N2O2/c10-9(12)5-7-6-3-1-2-4-8(6)13-11-7/h1-4H,5H2,(H2,10,12)

InChIKey

WAOWHBKLGGZHMR-UHFFFAOYSA-N

Compound name

2-(1,2-benzoxazol-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 176.05858 Da
Monoisotopic Mass: 0.6
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]+	177.06586	133.3
[M+Na]+	199.04780	143.2
[M-H]-	175.05130	137.5
[M+NH4]+	194.09240	153.3
[M+K]+	215.02174	141.8
[M+H-H2O]+	159.05584	127.0
[M+HCOO]-	221.05678	157.8
[M+CH3COO]-	235.07243	180.4
[M+Na-2H]-	197.03325	141.4
[M]+	176.05803	135.6
[M]-	176.05913	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe