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

11
Patents

164.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 131.2
[M+Na]+ 187.04780 139.5
[M-H]- 163.05130 133.4
[M+NH4]+ 182.09240 149.2
[M+K]+ 203.02174 137.3
[M+H-H2O]+ 147.05584 124.9
[M+HCOO]- 209.05678 150.5
[M+CH3COO]- 223.07243 176.3
[M+Na-2H]- 185.03325 139.6
[M]+ 164.05803 127.3
[M]- 164.05913 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