CID 20042120

928821-07-2

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1C2=C(C=CC(=C2)N)NC(=O)O1
InChI
InChI=1S/C8H8N2O2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4,9H2,(H,10,11)
InChIKey
YLJAGPUCXZSPHU-UHFFFAOYSA-N
Compound name
6-amino-1,4-dihydro-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

164.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 131.2
[M+Na]+ 187.047798 139.5
[M-H]- 163.051304 133.4
[M+NH4]+ 182.092403 149.2
[M+K]+ 203.021738 137.3
[M+H-H2O]+ 147.055840 124.9
[M+HCOO]- 209.056781 150.5
[M+CH3COO]- 223.072431 176.3
[M+Na-2H]- 185.033246 139.6
[M]+ 164.05803142 127.3
[M]- 164.05912858 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe