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]+ 182.128776 140.5
[M+Na]+ 204.110718 148.9
[M-H]- 180.114224 139.8
[M+NH4]+ 199.155323 157.1
[M+K]+ 220.084658 145.1
[M+H-H2O]+ 164.118760 133.3
[M+HCOO]- 226.119701 161.7
[M+CH3COO]- 240.135351 181.8
[M+Na-2H]- 202.096166 146.1
[M]+ 181.12095142 139.3
[M]- 181.12204858 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.