CID 3064824

105889-05-2

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=NNC(=O)OC1(C)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O2/c1-8-11(2,15-10(14)13-12-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)
InChIKey
CWZAHGNWKZHUDH-UHFFFAOYSA-N
Compound name
5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 144.0
[M+Na]+ 227.079088 152.7
[M-H]- 203.082594 147.7
[M+NH4]+ 222.123693 160.3
[M+K]+ 243.053028 150.5
[M+H-H2O]+ 187.087130 136.3
[M+HCOO]- 249.088071 162.1
[M+CH3COO]- 263.103721 181.6
[M+Na-2H]- 225.064536 151.7
[M]+ 204.08932142 142.3
[M]- 204.09041858 142.3
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.