CID 478620

2-amino-3-(4-hydroxybutyl)-6-methyl-pyrimidin-4-one

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC1=CC(=O)N(C(=N1)N)CCCCO
InChI
InChI=1S/C9H15N3O2/c1-7-6-8(14)12(9(10)11-7)4-2-3-5-13/h6,13H,2-5H2,1H3,(H2,10,11)
InChIKey
VJSGMXBYISYJSL-UHFFFAOYSA-N
Compound name
2-amino-3-(4-hydroxybutyl)-6-methylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 143.5
[M+Na]+ 220.10564 152.7
[M-H]- 196.10914 143.2
[M+NH4]+ 215.15024 159.7
[M+K]+ 236.07958 149.5
[M+H-H2O]+ 180.11368 136.3
[M+HCOO]- 242.11462 164.9
[M+CH3COO]- 256.13027 185.2
[M+Na-2H]- 218.09109 148.3
[M]+ 197.11587 144.1
[M]- 197.11697 144.1
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.