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]+ 181.133546 140.1
[M+Na]+ 203.115488 148.9
[M-H]- 179.118994 139.8
[M+NH4]+ 198.160093 157.4
[M+K]+ 219.089428 145.5
[M+H-H2O]+ 163.123530 133.1
[M+HCOO]- 225.124471 160.6
[M+CH3COO]- 239.140121 180.6
[M+Na-2H]- 201.100936 145.9
[M]+ 180.12572142 141.1
[M]- 180.12681858 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.