CID 99543

1-methylpseudouridine

Structural Information

Molecular Formula
C10H14N2O6
SMILES
CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H14N2O6/c1-12-2-4(9(16)11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,8+/m1/s1
InChIKey
UVBYMVOUBXYSFV-XUTVFYLZSA-N
Compound name
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

13986
Patents

258.08517 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09245 153.8
[M+Na]+ 281.07439 163.5
[M-H]- 257.07789 154.6
[M+NH4]+ 276.11899 166.3
[M+K]+ 297.04833 160.6
[M+H-H2O]+ 241.08243 147.4
[M+HCOO]- 303.08337 169.1
[M+CH3COO]- 317.09902 185.9
[M+Na-2H]- 279.05984 154.2
[M]+ 258.08462 153.3
[M]- 258.08572 153.3
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