CID 451571

2,5'-anhydro-3'-deoxythymidine

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CC1=CN2[C@H]3CC[C@H](O3)COC2=NC1=O
InChI
InChI=1S/C10H12N2O3/c1-6-4-12-8-3-2-7(15-8)5-14-10(12)11-9(6)13/h4,7-8H,2-3,5H2,1H3/t7-,8+/m0/s1
InChIKey
PTANPVNJOQVEAF-JGVFFNPUSA-N
Compound name
(1R,10S)-4-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 138.2
[M+Na]+ 231.074018 147.4
[M-H]- 207.077524 142.7
[M+NH4]+ 226.118623 155.7
[M+K]+ 247.047958 149.6
[M+H-H2O]+ 191.082060 132.3
[M+HCOO]- 253.083001 154.4
[M+CH3COO]- 267.098651 151.2
[M+Na-2H]- 229.059466 146.0
[M]+ 208.08425142 138.4
[M]- 208.08534858 138.4
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

No patent data available for this compound.