CID 61342662

6-methyl-3-(prop-2-yn-1-yl)-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=CC(=O)N(C=N1)CC#C
InChI
InChI=1S/C8H8N2O/c1-3-4-10-6-9-7(2)5-8(10)11/h1,5-6H,4H2,2H3
InChIKey
OWNSDCNHMDMREA-UHFFFAOYSA-N
Compound name
6-methyl-3-prop-2-ynylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 126.0
[M+Na]+ 171.052878 137.8
[M-H]- 147.056384 125.7
[M+NH4]+ 166.097483 142.7
[M+K]+ 187.026818 134.6
[M+H-H2O]+ 131.060920 113.0
[M+HCOO]- 193.061861 142.8
[M+CH3COO]- 207.077511 184.2
[M+Na-2H]- 169.038326 132.4
[M]+ 148.06311142 121.7
[M]- 148.06420858 121.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.