CID 12009

1-methyluracil

Structural Information

Molecular Formula
C5H6N2O2
SMILES
CN1C=CC(=O)NC1=O
InChI
InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
InChIKey
XBCXJKGHPABGSD-UHFFFAOYSA-N
Compound name
1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

51
References

5444
Patents

126.04293 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 119.3
[M+Na]+ 149.032148 130.5
[M-H]- 125.035654 119.9
[M+NH4]+ 144.076753 138.7
[M+K]+ 165.006088 128.2
[M+H-H2O]+ 109.040190 113.2
[M+HCOO]- 171.041131 141.9
[M+CH3COO]- 185.056781 166.7
[M+Na-2H]- 147.017596 127.8
[M]+ 126.04238142 119.2
[M]- 126.04347858 119.2
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