CID 13268987

5-(2-amino-4,6-dihydroxy-5-pyrimidinyl)-2-hydroxypentanoic acid

Structural Information

Molecular Formula
C9H13N3O5
SMILES
C(CC1=C(N=C(NC1=O)N)O)CC(C(=O)O)O
InChI
InChI=1S/C9H13N3O5/c10-9-11-6(14)4(7(15)12-9)2-1-3-5(13)8(16)17/h5,13H,1-3H2,(H,16,17)(H4,10,11,12,14,15)
InChIKey
YFSXPLJQLVWMKD-UHFFFAOYSA-N
Compound name
5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08553 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09281 152.5
[M+Na]+ 266.07475 160.1
[M+NH4]+ 261.11935 155.0
[M+K]+ 282.04869 159.3
[M-H]- 242.07825 148.7
[M+Na-2H]- 264.06020 152.9
[M]+ 243.08498 151.7
[M]- 243.08608 151.7
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.