CID 500902

2'-c-methylcytidine

Structural Information

Molecular Formula
C10H15N3O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O)O
InChI
InChI=1S/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,10-/m1/s1
InChIKey
PPUDLEUZKVJXSZ-VPCXQMTMSA-N
Compound name
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

94
References

1427
Patents

257.10117 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 154.8
[M+Na]+ 280.09039 163.9
[M+NH4]+ 275.13499 160.3
[M+K]+ 296.06433 162.2
[M-H]- 256.09389 155.2
[M+Na-2H]- 278.07584 157.8
[M]+ 257.10062 155.8
[M]- 257.10172 155.8
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