CID 452408

3'-hydroxymethyl ara u

Structural Information

Molecular Formula
C10H14N2O6
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)CO)O
InChI
InChI=1S/C10H14N2O6/c13-3-5-6(4-14)18-9(8(5)16)12-2-1-7(15)11-10(12)17/h1-2,5-6,8-9,13-14,16H,3-4H2,(H,11,15,17)/t5-,6-,8+,9-/m1/s1
InChIKey
CCLQDVIPKKSCHR-MTSNSDSCSA-N
Compound name
1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

258.08517 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09245 153.5
[M+Na]+ 281.07439 162.3
[M-H]- 257.07789 153.9
[M+NH4]+ 276.11899 165.7
[M+K]+ 297.04833 159.3
[M+H-H2O]+ 241.08243 146.7
[M+HCOO]- 303.08337 168.8
[M+CH3COO]- 317.09902 184.4
[M+Na-2H]- 279.05984 154.6
[M]+ 258.08462 152.5
[M]- 258.08572 152.5
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.