CID 451819

Bea-005

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)CO
InChI
InChI=1S/C10H15N3O4/c11-8-1-2-13(10(16)12-8)9-3-6(4-14)7(5-15)17-9/h1-2,6-7,9,14-15H,3-5H2,(H2,11,12,16)/t6-,7-,9-/m1/s1
InChIKey
WZGBNAXNHRMYLG-ZXFLCMHBSA-N
Compound name
4-amino-1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

94
Patents

241.10626 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 152.2
[M+Na]+ 264.09548 160.3
[M-H]- 240.09898 154.5
[M+NH4]+ 259.14008 165.9
[M+K]+ 280.06942 158.0
[M+H-H2O]+ 224.10352 144.6
[M+HCOO]- 286.10446 170.6
[M+CH3COO]- 300.12011 188.2
[M+Na-2H]- 262.08093 154.2
[M]+ 241.10571 150.7
[M]- 241.10681 150.7
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