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

20
Patents

191.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 140.6
[M+Na]+ 214.05869 148.4
[M-H]- 190.06219 143.6
[M+NH4]+ 209.10329 154.7
[M+K]+ 230.03263 145.6
[M+H-H2O]+ 174.06673 132.3
[M+HCOO]- 236.06767 159.7
[M+CH3COO]- 250.08332 152.5
[M+Na-2H]- 212.04414 147.5
[M]+ 191.06892 136.1
[M]- 191.07002 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