CID 15210021

162284-62-0

Structural Information

Molecular Formula
C7H9ClN2O2
SMILES
CN1C(=CC(=O)N(C1=O)C)CCl
InChI
InChI=1S/C7H9ClN2O2/c1-9-5(4-8)3-6(11)10(2)7(9)12/h3H,4H2,1-2H3
InChIKey
AEIYRTHZNGTKQE-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

188.03525 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04253 134.1
[M+Na]+ 211.02447 149.4
[M+NH4]+ 206.06907 141.5
[M+K]+ 226.99841 143.1
[M-H]- 187.02797 134.5
[M+Na-2H]- 209.00992 140.5
[M]+ 188.03470 136.6
[M]- 188.03580 136.6
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

patents stripe