CID 14742844

83112-44-1

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1C(=O)NN=C(O1)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H9N3O2/c10-7-3-1-6(2-4-7)9-12-11-8(13)5-14-9/h1-4H,5,10H2,(H,11,13)
InChIKey
GULMALYPRWHMKP-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-4H-1,3,4-oxadiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

191.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 140.6
[M+Na]+ 214.058688 148.4
[M-H]- 190.062194 143.6
[M+NH4]+ 209.103293 154.7
[M+K]+ 230.032628 145.6
[M+H-H2O]+ 174.066730 132.3
[M+HCOO]- 236.067671 159.7
[M+CH3COO]- 250.083321 152.5
[M+Na-2H]- 212.044136 147.5
[M]+ 191.06892142 136.1
[M]- 191.07001858 136.1
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

patents stripe