CID 3064825

105889-06-3

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC1=NN(C(=O)OC1(C)C2=CC=CC=C2)C
InChI
InChI=1S/C12H14N2O2/c1-9-12(2,10-7-5-4-6-8-10)16-11(15)14(3)13-9/h4-8H,1-3H3
InChIKey
RZFTWCMUEVKPMS-UHFFFAOYSA-N
Compound name
3,5,6-trimethyl-6-phenyl-1,3,4-oxadiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 147.1
[M+Na]+ 241.09475 156.8
[M-H]- 217.09825 152.4
[M+NH4]+ 236.13935 163.9
[M+K]+ 257.06869 155.3
[M+H-H2O]+ 201.10279 139.2
[M+HCOO]- 263.10373 166.4
[M+CH3COO]- 277.11938 188.3
[M+Na-2H]- 239.08020 154.0
[M]+ 218.10498 148.0
[M]- 218.10608 148.0
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.