CID 138031

1-methyl-1,2-dihydropyrimidin-2-one

Structural Information

Molecular Formula
C5H6N2O
SMILES
CN1C=CC=NC1=O
InChI
InChI=1S/C5H6N2O/c1-7-4-2-3-6-5(7)8/h2-4H,1H3
InChIKey
LQKMCBPMBNUKSU-UHFFFAOYSA-N
Compound name
1-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

442
Patents

110.04801 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 116.4
[M+Na]+ 133.03723 126.8
[M-H]- 109.04073 118.0
[M+NH4]+ 128.08183 136.9
[M+K]+ 149.01117 125.6
[M+H-H2O]+ 93.045270 109.9
[M+HCOO]- 155.04621 140.1
[M+CH3COO]- 169.06186 166.9
[M+Na-2H]- 131.02268 126.2
[M]+ 110.04746 117.0
[M]- 110.04856 117.0
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