CID 493323

Cyclopentyluracil

Structural Information

Molecular Formula
C10H14N2O5
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC(=O)NC2=O)O)O)CO
InChI
InChI=1S/C10H14N2O5/c13-4-5-3-6(9(16)8(5)15)12-2-1-7(14)11-10(12)17/h1-2,5-6,8-9,13,15-16H,3-4H2,(H,11,14,17)/t5-,6-,8-,9+/m1/s1
InChIKey
XCUVKEVNSATDTD-GCXDCGAKSA-N
Compound name
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

242.09027 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 150.6
[M+Na]+ 265.07949 159.5
[M-H]- 241.08299 150.4
[M+NH4]+ 260.12409 164.8
[M+K]+ 281.05343 155.1
[M+H-H2O]+ 225.08753 144.1
[M+HCOO]- 287.08847 166.7
[M+CH3COO]- 301.10412 181.8
[M+Na-2H]- 263.06494 150.9
[M]+ 242.08972 147.5
[M]- 242.09082 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.