CID 135966776

2,6-dipropyl-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C10H16N2O
SMILES
CCCC1=CC(=O)NC(=N1)CCC
InChI
InChI=1S/C10H16N2O/c1-3-5-8-7-10(13)12-9(11-8)6-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKey
RTQKZZUTLPTPNH-UHFFFAOYSA-N
Compound name
2,4-dipropyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 140.1
[M+Na]+ 203.11549 148.9
[M-H]- 179.11899 139.8
[M+NH4]+ 198.16009 157.4
[M+K]+ 219.08943 145.5
[M+H-H2O]+ 163.12353 133.1
[M+HCOO]- 225.12447 160.6
[M+CH3COO]- 239.14012 180.6
[M+Na-2H]- 201.10094 145.9
[M]+ 180.12572 141.1
[M]- 180.12682 141.1
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.