CID 135854956

6-amino-5-decyl-4-pyrimidinol

Structural Information

Molecular Formula
C14H25N3O
SMILES
CCCCCCCCCCC1=C(N=CNC1=O)N
InChI
InChI=1S/C14H25N3O/c1-2-3-4-5-6-7-8-9-10-12-13(15)16-11-17-14(12)18/h11H,2-10H2,1H3,(H3,15,16,17,18)
InChIKey
XCLZRDFROBRPRA-UHFFFAOYSA-N
Compound name
4-amino-5-decyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.19977 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.20705 162.7
[M+Na]+ 274.18899 168.8
[M-H]- 250.19249 161.0
[M+NH4]+ 269.23359 176.4
[M+K]+ 290.16293 163.9
[M+H-H2O]+ 234.19703 154.4
[M+HCOO]- 296.19797 182.2
[M+CH3COO]- 310.21362 197.0
[M+Na-2H]- 272.17444 165.6
[M]+ 251.19922 163.3
[M]- 251.20032 163.3
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.