CID 322636

23520-34-5

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=CC=C2C(=C1)NC(=O)C(O2)O
InChI
InChI=1S/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10)
InChIKey
VMQBFYRBJKDACN-UHFFFAOYSA-N
Compound name
2-hydroxy-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

187
Patents

165.04259 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 131.0
[M+Na]+ 188.03181 143.8
[M+NH4]+ 183.07641 139.0
[M+K]+ 204.00575 138.8
[M-H]- 164.03531 133.1
[M+Na-2H]- 186.01726 135.7
[M]+ 165.04204 133.2
[M]- 165.04314 133.2
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

patents stripe