CID 135692569

2-(2-hydroxyphenyl)-5,6-dihydro-4h-1,3,4-oxadiazin-5-one

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1C(=O)NN=C(O1)C2=CC=CC=C2O
InChI
InChI=1S/C9H8N2O3/c12-7-4-2-1-3-6(7)9-11-10-8(13)5-14-9/h1-4,12H,5H2,(H,10,13)
InChIKey
LRVZQZDBOKWVLU-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 139.2
[M+Na]+ 215.042718 147.3
[M-H]- 191.046224 141.4
[M+NH4]+ 210.087323 153.1
[M+K]+ 231.016658 144.7
[M+H-H2O]+ 175.050760 131.3
[M+HCOO]- 237.051701 156.6
[M+CH3COO]- 251.067351 175.7
[M+Na-2H]- 213.028166 146.3
[M]+ 192.05295142 136.0
[M]- 192.05404858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.