CID 322636

2-hydroxy-3,4-dihydro-2h-1,4-benzoxazin-3-one

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 129.9
[M+Na]+ 188.03181 138.5
[M-H]- 164.03531 131.4
[M+NH4]+ 183.07641 147.7
[M+K]+ 204.00575 136.5
[M+H-H2O]+ 148.03985 124.1
[M+HCOO]- 210.04079 147.5
[M+CH3COO]- 224.05644 171.6
[M+Na-2H]- 186.01726 138.6
[M]+ 165.04204 127.3
[M]- 165.04314 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