CID 440055

5-methyl-2'-deoxycytidine

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1
InChIKey
LUCHPKXVUGJYGU-XLPZGREQSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

216
References

7866
Patents

241.10626 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 152.8
[M+Na]+ 264.095478 161.9
[M-H]- 240.098984 155.5
[M+NH4]+ 259.140083 166.8
[M+K]+ 280.069418 159.5
[M+H-H2O]+ 224.103520 145.6
[M+HCOO]- 286.104461 171.2
[M+CH3COO]- 300.120111 189.5
[M+Na-2H]- 262.080926 154.1
[M]+ 241.10571142 151.7
[M]- 241.10680858 151.7
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