CID 205324

17758-52-0

Structural Information

Molecular Formula
C5H6N2O
SMILES
CC1=CN=CNC1=O
InChI
InChI=1S/C5H6N2O/c1-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
InChIKey
SHLJOANTPJWIHS-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

207
Patents

110.04801 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 118.3
[M+Na]+ 133.03723 132.0
[M+NH4]+ 128.08183 126.3
[M+K]+ 149.01117 126.2
[M-H]- 109.04073 118.9
[M+Na-2H]- 131.02268 125.8
[M]+ 110.04746 120.2
[M]- 110.04856 120.2
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