CID 135451986

2-(4-hydroxybutylamino)-4-methyl-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC1=CC(=O)NC(=N1)NCCCCO
InChI
InChI=1S/C9H15N3O2/c1-7-6-8(14)12-9(11-7)10-4-2-3-5-13/h6,13H,2-5H2,1H3,(H2,10,11,12,14)
InChIKey
JRYGVAVEPWMOEM-UHFFFAOYSA-N
Compound name
2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 143.4
[M+Na]+ 220.105638 151.2
[M-H]- 196.109144 141.9
[M+NH4]+ 215.150243 158.8
[M+K]+ 236.079578 147.5
[M+H-H2O]+ 180.113680 136.2
[M+HCOO]- 242.114621 164.0
[M+CH3COO]- 256.130271 182.1
[M+Na-2H]- 218.091086 149.5
[M]+ 197.11587142 142.8
[M]- 197.11696858 142.8
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.