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]+ 168.113146 136.0
[M+Na]+ 190.095088 144.8
[M-H]- 166.098594 135.5
[M+NH4]+ 185.139693 153.2
[M+K]+ 206.069028 141.3
[M+H-H2O]+ 150.103130 129.0
[M+HCOO]- 212.104071 157.6
[M+CH3COO]- 226.119721 178.8
[M+Na-2H]- 188.080536 142.1
[M]+ 167.10532142 134.5
[M]- 167.10641858 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.