CID 453161

136020-18-3

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1C[C@@H](O[C@@H]([C@H]1O)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H15N3O4/c11-8-3-4-13(10(16)12-8)9-2-1-6(15)7(5-14)17-9/h3-4,6-7,9,14-15H,1-2,5H2,(H2,11,12,16)/t6-,7+,9+/m0/s1
InChIKey
GOUMWHNAXBKGRV-LKEWCRSYSA-N
Compound name
4-amino-1-[(2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.10626 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 154.1
[M+Na]+ 264.09548 161.4
[M-H]- 240.09898 155.9
[M+NH4]+ 259.14008 165.8
[M+K]+ 280.06942 159.1
[M+H-H2O]+ 224.10352 145.8
[M+HCOO]- 286.10446 170.2
[M+CH3COO]- 300.12011 188.8
[M+Na-2H]- 262.08093 157.5
[M]+ 241.10571 150.4
[M]- 241.10681 150.4
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

patents stripe