CID 45789807

177210-33-2

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1C(=O)NC2=C(C=CC=C2O1)O
InChI
InChI=1S/C8H7NO3/c10-5-2-1-3-6-8(5)9-7(11)4-12-6/h1-3,10H,4H2,(H,9,11)
InChIKey
RVBZJDZYVVGTTH-UHFFFAOYSA-N
Compound name
5-hydroxy-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

129
Patents

165.04259 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 129.9
[M+Na]+ 188.031808 138.5
[M-H]- 164.035314 131.4
[M+NH4]+ 183.076413 147.7
[M+K]+ 204.005748 136.5
[M+H-H2O]+ 148.039850 124.1
[M+HCOO]- 210.040791 147.5
[M+CH3COO]- 224.056441 171.6
[M+Na-2H]- 186.017256 138.6
[M]+ 165.04204142 127.3
[M]- 165.04313858 127.3
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