CID 82345342

99584-80-2

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

CN1C2=C(C=CC=C2OC1=O)N

InChI

InChI=1S/C8H8N2O2/c1-10-7-5(9)3-2-4-6(7)12-8(10)11/h2-4H,9H2,1H3

InChIKey

QLFYBORVPBFYNT-UHFFFAOYSA-N

Compound name

4-amino-3-methyl-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.05858 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]+	165.06586	128.4
[M+Na]+	187.04780	141.0
[M-H]-	163.05130	133.5
[M+NH4]+	182.09240	149.7
[M+K]+	203.02174	139.3
[M+H-H2O]+	147.05584	122.8
[M+HCOO]-	209.05678	154.3
[M+CH3COO]-	223.07243	179.0
[M+Na-2H]-	185.03325	136.9
[M]+	164.05803	131.8
[M]-	164.05913	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.