CID 128937

Cyclopentenyluracil

Structural Information

Molecular Formula
C10H12N2O5
SMILES
C1=CN(C(=O)NC1=O)[C@@H]2C=C([C@H]([C@H]2O)O)CO
InChI
InChI=1S/C10H12N2O5/c13-4-5-3-6(9(16)8(5)15)12-2-1-7(14)11-10(12)17/h1-3,6,8-9,13,15-16H,4H2,(H,11,14,17)/t6-,8-,9+/m1/s1
InChIKey
FCWVOJUKQSHZIV-VDAHYXPESA-N
Compound name
1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

240.07462 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08190 148.9
[M+Na]+ 263.06384 158.9
[M-H]- 239.06734 149.2
[M+NH4]+ 258.10844 163.3
[M+K]+ 279.03778 154.3
[M+H-H2O]+ 223.07188 142.4
[M+HCOO]- 285.07282 166.5
[M+CH3COO]- 299.08847 181.4
[M+Na-2H]- 261.04929 150.2
[M]+ 240.07407 147.3
[M]- 240.07517 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

patents stripe