CID 12283

6-methyluracil

Structural Information

Molecular Formula
C5H6N2O2
SMILES
CC1=CC(=O)NC(=O)N1
InChI
InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKey
SHVCSCWHWMSGTE-UHFFFAOYSA-N
Compound name
6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

173
References

2539
Patents

126.04293 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 121.6
[M+Na]+ 149.03215 134.7
[M+NH4]+ 144.07675 128.3
[M+K]+ 165.00609 129.8
[M-H]- 125.03565 120.9
[M+Na-2H]- 147.01760 127.5
[M]+ 126.04238 123.0
[M]- 126.04348 123.0
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