CID 6450962

(3,4,5-oh pentenyl)u

Structural Information

Molecular Formula
C9H12N2O5
SMILES
C1=CN(C(=O)NC1=O)/C=C/[C@@H]([C@@H](CO)O)O
InChI
InChI=1S/C9H12N2O5/c12-5-7(14)6(13)1-3-11-4-2-8(15)10-9(11)16/h1-4,6-7,12-14H,5H2,(H,10,15,16)/b3-1+/t6-,7+/m0/s1
InChIKey
BLUCVFFICDEGFV-YPIXSHMWSA-N
Compound name
1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.07462 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 147.2
[M+Na]+ 251.06384 154.7
[M-H]- 227.06734 143.1
[M+NH4]+ 246.10844 159.7
[M+K]+ 267.03778 150.9
[M+H-H2O]+ 211.07188 140.5
[M+HCOO]- 273.07282 162.7
[M+CH3COO]- 287.08847 178.7
[M+Na-2H]- 249.04929 149.5
[M]+ 228.07407 145.1
[M]- 228.07517 145.1
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.