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]+ 198.123696 143.5
[M+Na]+ 220.105638 152.7
[M-H]- 196.109144 143.2
[M+NH4]+ 215.150243 159.7
[M+K]+ 236.079578 149.5
[M+H-H2O]+ 180.113680 136.3
[M+HCOO]- 242.114621 164.9
[M+CH3COO]- 256.130271 185.2
[M+Na-2H]- 218.091086 148.3
[M]+ 197.11587142 144.1
[M]- 197.11696858 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.