CID 3064827

105889-08-5

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC1=CC=C(C=C1)C2(C(=NNC(=O)O2)C)C
InChI
InChI=1S/C12H14N2O2/c1-8-4-6-10(7-5-8)12(3)9(2)13-14-11(15)16-12/h4-7H,1-3H3,(H,14,15)
InChIKey
ZTMAKTSOSSXQDM-UHFFFAOYSA-N
Compound name
5,6-dimethyl-6-(4-methylphenyl)-3H-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 148.2
[M+Na]+ 241.09475 157.5
[M-H]- 217.09825 152.1
[M+NH4]+ 236.13935 164.3
[M+K]+ 257.06869 155.0
[M+H-H2O]+ 201.10279 140.6
[M+HCOO]- 263.10373 166.0
[M+CH3COO]- 277.11938 185.8
[M+Na-2H]- 239.08020 154.7
[M]+ 218.10498 147.3
[M]- 218.10608 147.3
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.