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

literature stripe

Patent stripe

patents stripe