CID 10331902

2'-deoxy-4'-c-methylcytidine

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C[C@]1([C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O)CO
InChI
InChI=1S/C10H15N3O4/c1-10(5-14)6(15)4-8(17-10)13-3-2-7(11)12-9(13)16/h2-3,6,8,14-15H,4-5H2,1H3,(H2,11,12,16)/t6-,8+,10+/m0/s1
InChIKey
ROIYOHMMVFSTAJ-SKWCMTHISA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

241.10626 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 150.7
[M+Na]+ 264.09548 159.8
[M-H]- 240.09898 153.4
[M+NH4]+ 259.14008 166.5
[M+K]+ 280.06942 157.8
[M+H-H2O]+ 224.10352 144.1
[M+HCOO]- 286.10446 169.1
[M+CH3COO]- 300.12011 187.7
[M+Na-2H]- 262.08093 154.2
[M]+ 241.10571 149.6
[M]- 241.10681 149.6
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