CID 40424018

179331-04-5

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CC2=C(C=C1N)NC(=O)OC2=O
InChI
InChI=1S/C8H6N2O3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,9H2,(H,10,12)
InChIKey
GBYOVJPPABNNPV-UHFFFAOYSA-N
Compound name
7-amino-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.03784 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.045116 131.3
[M+Na]+ 201.027058 142.7
[M-H]- 177.030564 134.7
[M+NH4]+ 196.071663 149.1
[M+K]+ 217.000998 140.1
[M+H-H2O]+ 161.035100 125.0
[M+HCOO]- 223.036041 153.8
[M+CH3COO]- 237.051691 178.5
[M+Na-2H]- 199.012506 140.8
[M]+ 178.03729142 131.4
[M]- 178.03838858 131.4
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