CID 510970

4'-c-methyluridine

Structural Information

Molecular Formula
C10H14N2O6
SMILES
C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)CO
InChI
InChI=1S/C10H14N2O6/c1-10(4-13)7(16)6(15)8(18-10)12-3-2-5(14)11-9(12)17/h2-3,6-8,13,15-16H,4H2,1H3,(H,11,14,17)/t6-,7+,8-,10-/m1/s1
InChIKey
ALQJCWREHBFHHQ-IBCQBUCCSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

100
Patents

258.08517 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09245 151.9
[M+Na]+ 281.07439 161.8
[M-H]- 257.07789 152.8
[M+NH4]+ 276.11899 166.3
[M+K]+ 297.04833 159.2
[M+H-H2O]+ 241.08243 146.3
[M+HCOO]- 303.08337 167.4
[M+CH3COO]- 317.09902 184.0
[M+Na-2H]- 279.05984 154.7
[M]+ 258.08462 151.6
[M]- 258.08572 151.6
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