CID 69865

771-26-6

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1C(=O)N(C2=CC=CC=C2O1)O
InChI
InChI=1S/C8H7NO3/c10-8-5-12-7-4-2-1-3-6(7)9(8)11/h1-4,11H,5H2
InChIKey
PTSQWRVYIPQDJA-UHFFFAOYSA-N
Compound name
4-hydroxy-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

25
Patents

165.04259 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 130.5
[M+Na]+ 188.03181 143.9
[M+NH4]+ 183.07641 138.9
[M+K]+ 204.00575 138.6
[M-H]- 164.03531 133.1
[M+Na-2H]- 186.01726 135.8
[M]+ 165.04204 133.0
[M]- 165.04314 133.0
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