CID 477854

3'-deoxy-4'-c-methylthymidine

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@@](O2)(C)CO
InChI
InChI=1S/C11H16N2O4/c1-7-5-13(10(16)12-9(7)15)8-3-4-11(2,6-14)17-8/h5,8,14H,3-4,6H2,1-2H3,(H,12,15,16)/t8-,11+/m1/s1
InChIKey
YEWUZKGIJTWQRI-KCJUWKMLSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

240.11101 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 149.7
[M+Na]+ 263.10023 159.6
[M-H]- 239.10373 152.7
[M+NH4]+ 258.14483 166.2
[M+K]+ 279.07417 157.1
[M+H-H2O]+ 223.10827 143.4
[M+HCOO]- 285.10921 167.6
[M+CH3COO]- 299.12486 185.3
[M+Na-2H]- 261.08568 153.2
[M]+ 240.11046 149.9
[M]- 240.11156 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.