CID 5359943

5-hydroxy-3-methyl-2h-1,4-benzoxazin-2-one

Structural Information

Molecular Formula
C9H7NO3
SMILES
CC1=NC2=C(C=CC=C2OC1=O)O
InChI
InChI=1S/C9H7NO3/c1-5-9(12)13-7-4-2-3-6(11)8(7)10-5/h2-4,11H,1H3
InChIKey
NQNDQVHPEVROII-UHFFFAOYSA-N
Compound name
5-hydroxy-3-methyl-1,4-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 131.3
[M+Na]+ 200.031808 142.9
[M-H]- 176.035314 135.1
[M+NH4]+ 195.076413 149.9
[M+K]+ 216.005748 141.2
[M+H-H2O]+ 160.039850 125.2
[M+HCOO]- 222.040791 153.0
[M+CH3COO]- 236.056441 177.7
[M+Na-2H]- 198.017256 141.1
[M]+ 177.04204142 134.2
[M]- 177.04313858 134.2
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

No patent data available for this compound.