CID 76027104

6-(2-methylphenyl)-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=CC=CC=C1C2CC(=O)NC(=O)N2
InChI
InChI=1S/C11H12N2O2/c1-7-4-2-3-5-8(7)9-6-10(14)13-11(15)12-9/h2-5,9H,6H2,1H3,(H2,12,13,14,15)
InChIKey
QIUFCOSAUFJKSH-UHFFFAOYSA-N
Compound name
6-(2-methylphenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 145.6
[M+Na]+ 227.079088 152.9
[M-H]- 203.082594 146.8
[M+NH4]+ 222.123693 160.5
[M+K]+ 243.053028 148.1
[M+H-H2O]+ 187.087130 137.9
[M+HCOO]- 249.088071 161.8
[M+CH3COO]- 263.103721 180.3
[M+Na-2H]- 225.064536 149.2
[M]+ 204.08932142 139.3
[M]- 204.09041858 139.3
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.