CID 9834041

2-amino-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC=C2C(=C1)C(=O)OC(=N2)N
InChI
InChI=1S/C8H6N2O2/c9-8-10-6-4-2-1-3-5(6)7(11)12-8/h1-4H,(H2,9,10)
InChIKey
YYPXNAAEYOJYES-UHFFFAOYSA-N
Compound name
2-amino-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

136
Patents

162.04292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.050196 128.2
[M+Na]+ 185.032138 139.0
[M-H]- 161.035644 132.5
[M+NH4]+ 180.076743 147.2
[M+K]+ 201.006078 137.3
[M+H-H2O]+ 145.040180 121.6
[M+HCOO]- 207.041121 151.9
[M+CH3COO]- 221.056771 142.9
[M+Na-2H]- 183.017586 139.0
[M]+ 162.04237142 129.0
[M]- 162.04346858 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe