CID 3005913

2'-deoxy-2'-methylenecytidine

Structural Information

Molecular Formula
C10H13N3O4
SMILES
C=C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI
InChI=1S/C10H13N3O4/c1-5-8(15)6(4-14)17-9(5)13-3-2-7(11)12-10(13)16/h2-3,6,8-9,14-15H,1,4H2,(H2,11,12,16)/t6-,8+,9-/m1/s1
InChIKey
PULHLIOPJXPGJN-BWVDBABLSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

3714
Patents

239.0906 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09788 151.9
[M+Na]+ 262.07982 161.2
[M-H]- 238.08332 154.6
[M+NH4]+ 257.12442 165.9
[M+K]+ 278.05376 158.2
[M+H-H2O]+ 222.08786 144.7
[M+HCOO]- 284.08880 170.4
[M+CH3COO]- 298.10445 188.8
[M+Na-2H]- 260.06527 153.2
[M]+ 239.09005 150.1
[M]- 239.09115 150.1
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