CID 152213

17359-53-4

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC1=CC2=C(C=C1)NC(=O)C(O2)O
InChI
InChI=1S/C9H9NO4/c1-13-5-2-3-6-7(4-5)14-9(12)8(11)10-6/h2-4,9,12H,1H3,(H,10,11)
InChIKey
NDEPTLCFICMYLH-UHFFFAOYSA-N
Compound name
2-hydroxy-7-methoxy-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

41
Patents

195.05316 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe