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]+ 178.04987 131.3
[M+Na]+ 200.03181 142.9
[M-H]- 176.03531 135.1
[M+NH4]+ 195.07641 149.9
[M+K]+ 216.00575 141.2
[M+H-H2O]+ 160.03985 125.2
[M+HCOO]- 222.04079 153.0
[M+CH3COO]- 236.05644 177.7
[M+Na-2H]- 198.01726 141.1
[M]+ 177.04204 134.2
[M]- 177.04314 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.