CID 14237477

3-methylcytidine

Structural Information

Molecular Formula
C10H15N3O5
SMILES
CN1C(=N)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H15N3O5/c1-12-6(11)2-3-13(10(12)17)9-8(16)7(15)5(4-14)18-9/h2-3,5,7-9,11,14-16H,4H2,1H3/t5-,7-,8-,9-/m1/s1
InChIKey
RDPUKVRQKWBSPK-ZOQUXTDFSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-3-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

9818
Patents

257.10117 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 156.2
[M+Na]+ 280.09039 165.8
[M+NH4]+ 275.13499 160.1
[M+K]+ 296.06433 165.7
[M-H]- 256.09389 156.7
[M+Na-2H]- 278.07584 157.6
[M]+ 257.10062 157.1
[M]- 257.10172 157.1
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