CID 66978040

7-hydroxy-5-methyl-2h-benzo[b][1,4]oxazin-3(4h)-one

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

6
Patents

179.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 134.8
[M+Na]+ 202.04746 143.9
[M-H]- 178.05096 136.4
[M+NH4]+ 197.09206 152.3
[M+K]+ 218.02140 141.6
[M+H-H2O]+ 162.05550 129.0
[M+HCOO]- 224.05644 152.0
[M+CH3COO]- 238.07209 175.9
[M+Na-2H]- 200.03291 142.1
[M]+ 179.05769 132.9
[M]- 179.05879 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