CID 469179

4-amino-1-[[1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-methyl-pyrimidin-2-one

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CC1=CN(C(=O)N=C1N)CC2(CC2CO)CO
InChI
InChI=1S/C11H17N3O3/c1-7-3-14(10(17)13-9(7)12)5-11(6-16)2-8(11)4-15/h3,8,15-16H,2,4-6H2,1H3,(H2,12,13,17)
InChIKey
UJAVAWPPBNJYCU-UHFFFAOYSA-N
Compound name
4-amino-1-[[1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.127 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 156.8
[M+Na]+ 262.11622 168.1
[M-H]- 238.11972 159.7
[M+NH4]+ 257.16082 168.0
[M+K]+ 278.09016 163.0
[M+H-H2O]+ 222.12426 150.6
[M+HCOO]- 284.12520 176.4
[M+CH3COO]- 298.14085 193.3
[M+Na-2H]- 260.10167 160.8
[M]+ 239.12645 159.9
[M]- 239.12755 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.