CID 135854959

4-pyrimidinol, 6-amino-2-methyl-5-octyl-

Structural Information

Molecular Formula
C13H23N3O
SMILES
CCCCCCCCC1=C(N=C(NC1=O)C)N
InChI
InChI=1S/C13H23N3O/c1-3-4-5-6-7-8-9-11-12(14)15-10(2)16-13(11)17/h3-9H2,1-2H3,(H3,14,15,16,17)
InChIKey
DVYGVFXBXNKEPP-UHFFFAOYSA-N
Compound name
4-amino-2-methyl-5-octyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.18411 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.19139 158.5
[M+Na]+ 260.17333 166.1
[M-H]- 236.17683 157.5
[M+NH4]+ 255.21793 173.2
[M+K]+ 276.14727 161.4
[M+H-H2O]+ 220.18137 150.8
[M+HCOO]- 282.18231 178.4
[M+CH3COO]- 296.19796 195.2
[M+Na-2H]- 258.15878 161.2
[M]+ 237.18356 159.2
[M]- 237.18466 159.2
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.