CID 23505663

99584-09-5

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

CN1C2=C(C=CC(=C2)N)OC1=O

InChI

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

InChIKey

JQPPHIWSRUYRAL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
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	129.0
[M+Na]+	187.04780	142.9
[M+NH4]+	182.09240	137.5
[M+K]+	203.02174	139.4
[M-H]-	163.05130	132.3
[M+Na-2H]-	185.03325	135.1
[M]+	164.05803	131.9
[M]-	164.05913	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe