CID 103331

65208-42-6

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC1=CC(=O)N(C(=O)N1)CC(C)C
InChI
InChI=1S/C9H14N2O2/c1-6(2)5-11-8(12)4-7(3)10-9(11)13/h4,6H,5H2,1-3H3,(H,10,13)
InChIKey
FMRWAKZUWFOTDM-UHFFFAOYSA-N
Compound name
6-methyl-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

182.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 137.1
[M+Na]+ 205.094748 147.2
[M-H]- 181.098254 137.5
[M+NH4]+ 200.139353 154.5
[M+K]+ 221.068688 144.4
[M+H-H2O]+ 165.102790 130.6
[M+HCOO]- 227.103731 157.4
[M+CH3COO]- 241.119381 180.9
[M+Na-2H]- 203.080196 141.5
[M]+ 182.10498142 138.2
[M]- 182.10607858 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe