CID 11147814

81282-60-2

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C1=CC(=C2C(=C1)NC(=O)O2)N

InChI

InChI=1S/C7H6N2O2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,8H2,(H,9,10)

InChIKey

CLCPWTXGFUIRJE-UHFFFAOYSA-N

Compound name

7-amino-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 150.04292 Da
Monoisotopic Mass: 0.5
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]+	151.05020	124.9
[M+Na]+	173.03214	138.1
[M+NH4]+	168.07674	133.2
[M+K]+	189.00608	134.9
[M-H]-	149.03564	127.7
[M+Na-2H]-	171.01759	130.9
[M]+	150.04237	127.4
[M]-	150.04347	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe