CID 328249

Nsc306385

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC2=C(C=C1CO)C(NC(=O)O2)O
InChI
InChI=1S/C9H9NO4/c11-4-5-1-2-7-6(3-5)8(12)10-9(13)14-7/h1-3,8,11-12H,4H2,(H,10,13)
InChIKey
KHZZWJLGCACCTR-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(hydroxymethyl)-3,4-dihydro-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05316 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.3
[M+Na]+ 218.04238 146.7
[M-H]- 194.04588 138.4
[M+NH4]+ 213.08698 154.3
[M+K]+ 234.01632 144.2
[M+H-H2O]+ 178.05042 132.4
[M+HCOO]- 240.05136 154.1
[M+CH3COO]- 254.06701 175.8
[M+Na-2H]- 216.02783 145.1
[M]+ 195.05261 136.1
[M]- 195.05371 136.1
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.