CID 135854963

6-amino-5-pentyl-4-pyrimidinol

Structural Information

Molecular Formula
C9H15N3O
SMILES
CCCCCC1=C(N=CNC1=O)N
InChI
InChI=1S/C9H15N3O/c1-2-3-4-5-7-8(10)11-6-12-9(7)13/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKey
DQENLXHRPLSILC-UHFFFAOYSA-N
Compound name
4-amino-5-pentyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 140.5
[M+Na]+ 204.11072 148.9
[M-H]- 180.11422 139.8
[M+NH4]+ 199.15532 157.1
[M+K]+ 220.08466 145.1
[M+H-H2O]+ 164.11876 133.3
[M+HCOO]- 226.11970 161.7
[M+CH3COO]- 240.13535 181.8
[M+Na-2H]- 202.09617 146.1
[M]+ 181.12095 139.3
[M]- 181.12205 139.3
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.