CID 95268

5-chloro-6-methyluracil

Structural Information

Molecular Formula
C5H5ClN2O2
SMILES
CC1=C(C(=O)NC(=O)N1)Cl
InChI
InChI=1S/C5H5ClN2O2/c1-2-3(6)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)
InChIKey
YFTMPDGCVOWZOZ-UHFFFAOYSA-N
Compound name
5-chloro-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

160.00395 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01123 125.1
[M+Na]+ 182.99317 137.4
[M-H]- 158.99667 124.4
[M+NH4]+ 178.03777 143.4
[M+K]+ 198.96711 132.3
[M+H-H2O]+ 143.00121 120.1
[M+HCOO]- 205.00215 141.4
[M+CH3COO]- 219.01780 169.3
[M+Na-2H]- 180.97862 131.8
[M]+ 160.00340 125.2
[M]- 160.00450 125.2
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