CID 332499

Nsc329354

Structural Information

Molecular Formula
C8H7NO4
SMILES
C1=CC2=C(C=C1O)C(NC(=O)O2)O
InChI
InChI=1S/C8H7NO4/c10-4-1-2-6-5(3-4)7(11)9-8(12)13-6/h1-3,7,10-11H,(H,9,12)
InChIKey
IVCULHCNRCZORR-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-3,4-dihydro-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0375 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 133.6
[M+Na]+ 204.02672 142.6
[M-H]- 180.03022 134.0
[M+NH4]+ 199.07132 150.3
[M+K]+ 220.00066 140.3
[M+H-H2O]+ 164.03476 128.0
[M+HCOO]- 226.03570 149.8
[M+CH3COO]- 240.05135 172.8
[M+Na-2H]- 202.01217 141.1
[M]+ 181.03695 131.1
[M]- 181.03805 131.1
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.