CID 96141

6-chloro-3-methylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C5H5ClN2O2
SMILES
CN1C(=O)C=C(NC1=O)Cl
InChI
InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)
InChIKey
SGLXGFAZAARYJY-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

464
Patents

160.00395 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01123 124.0
[M+Na]+ 182.99317 136.8
[M-H]- 158.99667 124.7
[M+NH4]+ 178.03777 143.1
[M+K]+ 198.96711 132.6
[M+H-H2O]+ 143.00121 118.8
[M+HCOO]- 205.00215 141.9
[M+CH3COO]- 219.01780 171.8
[M+Na-2H]- 180.97862 131.3
[M]+ 160.00340 126.0
[M]- 160.00450 126.0
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