CID 512175

5-amino-1-[(1r,2r,4s)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1[C@@H](C[C@H]([C@@H]1N2C=C(C(=O)NC2=O)N)O)CO
InChI
InChI=1S/C10H15N3O4/c11-6-3-13(10(17)12-9(6)16)7-1-5(4-14)2-8(7)15/h3,5,7-8,14-15H,1-2,4,11H2,(H,12,16,17)/t5-,7+,8+/m0/s1
InChIKey
IHMQPKOBJLKNQT-UIISKDMLSA-N
Compound name
5-amino-1-[(1R,2R,4S)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.10626 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 151.6
[M+Na]+ 264.095478 160.3
[M-H]- 240.098984 152.3
[M+NH4]+ 259.140083 166.1
[M+K]+ 280.069418 155.7
[M+H-H2O]+ 224.103520 144.6
[M+HCOO]- 286.104461 169.5
[M+CH3COO]- 300.120111 186.5
[M+Na-2H]- 262.080926 151.8
[M]+ 241.10571142 147.3
[M]- 241.10680858 147.3
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.