CID 503711

4-amino-1-[[(1s)-1-hydroxypropoxy]methyl]pyrimidin-2-one

Structural Information

Molecular Formula
C8H13N3O3
SMILES
CC[C@@H](O)OCN1C=CC(=NC1=O)N
InChI
InChI=1S/C8H13N3O3/c1-2-7(12)14-5-11-4-3-6(9)10-8(11)13/h3-4,7,12H,2,5H2,1H3,(H2,9,10,13)/t7-/m0/s1
InChIKey
HHRCKLMAGFIMGZ-ZETCQYMHSA-N
Compound name
4-amino-1-[[(1S)-1-hydroxypropoxy]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

199.09569 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10297 141.8
[M+Na]+ 222.08491 150.0
[M-H]- 198.08841 141.4
[M+NH4]+ 217.12951 157.3
[M+K]+ 238.05885 148.2
[M+H-H2O]+ 182.09295 134.3
[M+HCOO]- 244.09389 162.8
[M+CH3COO]- 258.10954 184.0
[M+Na-2H]- 220.07036 146.7
[M]+ 199.09514 142.4
[M]- 199.09624 142.4
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.