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

literature stripe

Patent stripe

patents stripe