CID 335288

Nsc343756

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC1=CC=CC2=C1OC(=O)NC2O
InChI
InChI=1S/C9H9NO4/c1-13-6-4-2-3-5-7(6)14-9(12)10-8(5)11/h2-4,8,11H,1H3,(H,10,12)
InChIKey
VILYVLNZTOZPAU-UHFFFAOYSA-N
Compound name
4-hydroxy-8-methoxy-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

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 137.5
[M+Na]+ 218.04238 146.4
[M-H]- 194.04588 139.1
[M+NH4]+ 213.08698 154.3
[M+K]+ 234.01632 144.8
[M+H-H2O]+ 178.05042 131.4
[M+HCOO]- 240.05136 154.9
[M+CH3COO]- 254.06701 178.1
[M+Na-2H]- 216.02783 144.9
[M]+ 195.05261 137.1
[M]- 195.05371 137.1
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.