CID 66978040

1231750-12-1

Structural Information

Molecular Formula
C9H9NO3
SMILES
CC1=CC(=CC2=C1NC(=O)CO2)O
InChI
InChI=1S/C9H9NO3/c1-5-2-6(11)3-7-9(5)10-8(12)4-13-7/h2-3,11H,4H2,1H3,(H,10,12)
InChIKey
XHAYCRVIFCFAGV-UHFFFAOYSA-N
Compound name
7-hydroxy-5-methyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

179.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 134.8
[M+Na]+ 202.047458 143.9
[M-H]- 178.050964 136.4
[M+NH4]+ 197.092063 152.3
[M+K]+ 218.021398 141.6
[M+H-H2O]+ 162.055500 129.0
[M+HCOO]- 224.056441 152.0
[M+CH3COO]- 238.072091 175.9
[M+Na-2H]- 200.032906 142.1
[M]+ 179.05769142 132.9
[M]- 179.05878858 132.9
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

patents stripe