CID 135512717

6-methyl-5-octyl-4-pyrimidinol

Structural Information

Molecular Formula
C13H22N2O
SMILES
CCCCCCCCC1=C(N=CNC1=O)C
InChI
InChI=1S/C13H22N2O/c1-3-4-5-6-7-8-9-12-11(2)14-10-15-13(12)16/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKey
LXOQFACLIPIFSD-UHFFFAOYSA-N
Compound name
4-methyl-5-octyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 154.1
[M+Na]+ 245.16244 166.5
[M+NH4]+ 240.20704 160.7
[M+K]+ 261.13638 159.0
[M-H]- 221.16594 154.4
[M+Na-2H]- 243.14789 159.2
[M]+ 222.17267 155.8
[M]- 222.17377 155.8
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.