CID 18354941

208772-72-9

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1C(=O)NC2=CC=CC(=C2O1)C(=O)O
InChI
InChI=1S/C9H7NO4/c11-7-4-14-8-5(9(12)13)2-1-3-6(8)10-7/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKey
GFIIVSMKGXZHJK-UHFFFAOYSA-N
Compound name
3-oxo-4H-1,4-benzoxazine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

193.0375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 136.3
[M+Na]+ 216.026718 144.3
[M-H]- 192.030224 137.6
[M+NH4]+ 211.071323 152.7
[M+K]+ 232.000658 142.5
[M+H-H2O]+ 176.034760 130.2
[M+HCOO]- 238.035701 152.9
[M+CH3COO]- 252.051351 177.0
[M+Na-2H]- 214.012166 143.2
[M]+ 193.03695142 134.2
[M]- 193.03804858 134.2
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