CID 459901

1-[(1r,2s,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](C([C@H]2O)O)CO
InChI
InChI=1S/C11H16N2O5/c1-5-3-13(11(18)12-10(5)17)7-2-6(4-14)8(15)9(7)16/h3,6-9,14-16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8?,9+/m1/s1
InChIKey
OHFMYSNQKZBRNM-MWBBWYEJSA-N
Compound name
1-[(1R,2S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

256.10593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.113206 155.0
[M+Na]+ 279.095148 164.4
[M-H]- 255.098654 155.1
[M+NH4]+ 274.139753 169.0
[M+K]+ 295.069088 159.9
[M+H-H2O]+ 239.103190 148.7
[M+HCOO]- 301.104131 170.8
[M+CH3COO]- 315.119781 186.2
[M+Na-2H]- 277.080596 154.2
[M]+ 256.10538142 152.8
[M]- 256.10647858 152.8
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.