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]+ 209.09208 138.2
[M+Na]+ 231.07402 147.4
[M-H]- 207.07752 142.7
[M+NH4]+ 226.11862 155.7
[M+K]+ 247.04796 149.6
[M+H-H2O]+ 191.08206 132.3
[M+HCOO]- 253.08300 154.4
[M+CH3COO]- 267.09865 151.2
[M+Na-2H]- 229.05947 146.0
[M]+ 208.08425 138.4
[M]- 208.08535 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.