CID 333484

Nsc334700

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1=CC2=C(C=C1C=O)C(NC(=O)O2)O
InChI
InChI=1S/C9H7NO4/c11-4-5-1-2-7-6(3-5)8(12)10-9(13)14-7/h1-4,8,12H,(H,10,13)
InChIKey
XGQNCIBIEKALCU-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-3,4-dihydro-1,3-benzoxazine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 136.2
[M+Na]+ 216.02672 145.4
[M-H]- 192.03022 137.8
[M+NH4]+ 211.07132 153.0
[M+K]+ 232.00066 143.2
[M+H-H2O]+ 176.03476 130.2
[M+HCOO]- 238.03570 153.8
[M+CH3COO]- 252.05135 177.4
[M+Na-2H]- 214.01217 143.6
[M]+ 193.03695 135.1
[M]- 193.03805 135.1
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

No patent data available for this compound.