CID 453629

139925-84-1

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(C)CO)O
InChI
InChI=1S/C11H16N2O5/c1-6-4-13(10(17)12-9(6)16)8-3-7(15)11(2,5-14)18-8/h4,7-8,14-15H,3,5H2,1-2H3,(H,12,16,17)/t7-,8+,11+/m0/s1
InChIKey
BKEITBKYNOYEOH-VAOFZXAKSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

256.10593 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 152.9
[M+Na]+ 279.09515 163.1
[M-H]- 255.09865 155.0
[M+NH4]+ 274.13975 168.2
[M+K]+ 295.06909 160.4
[M+H-H2O]+ 239.10319 147.1
[M+HCOO]- 301.10413 169.4
[M+CH3COO]- 315.11978 186.7
[M+Na-2H]- 277.08060 155.5
[M]+ 256.10538 153.3
[M]- 256.10648 153.3
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

patents stripe