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

46
Patents

193.0375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 136.3
[M+Na]+ 216.02672 144.3
[M-H]- 192.03022 137.6
[M+NH4]+ 211.07132 152.7
[M+K]+ 232.00066 142.5
[M+H-H2O]+ 176.03476 130.2
[M+HCOO]- 238.03570 152.9
[M+CH3COO]- 252.05135 177.0
[M+Na-2H]- 214.01217 143.2
[M]+ 193.03695 134.2
[M]- 193.03805 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