CID 135854954

6-amino-5-butyl-4-pyrimidinol

Structural Information

Molecular Formula
C8H13N3O
SMILES
CCCCC1=C(N=CNC1=O)N
InChI
InChI=1S/C8H13N3O/c1-2-3-4-6-7(9)10-5-11-8(6)12/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKey
AYIYPOXMXHVYQC-UHFFFAOYSA-N
Compound name
4-amino-5-butyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 136.0
[M+Na]+ 190.09509 144.8
[M-H]- 166.09859 135.5
[M+NH4]+ 185.13969 153.2
[M+K]+ 206.06903 141.3
[M+H-H2O]+ 150.10313 129.0
[M+HCOO]- 212.10407 157.6
[M+CH3COO]- 226.11972 178.8
[M+Na-2H]- 188.08054 142.1
[M]+ 167.10532 134.5
[M]- 167.10642 134.5
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.