CID 135521876

2'-3'-dideoxy-3-isoadenosine

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC(=N)C3=C2N=CN3
InChI
InChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-8)15(5-14-9)7-2-1-6(3-16)17-7/h4-7,11,16H,1-3H2,(H,12,13)/t6-,7+/m0/s1
InChIKey
SHABSADBQGVXLH-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.10692 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 149.6
[M+Na]+ 258.09614 159.3
[M-H]- 234.09964 151.2
[M+NH4]+ 253.14074 163.8
[M+K]+ 274.07008 155.5
[M+H-H2O]+ 218.10418 141.2
[M+HCOO]- 280.10512 167.6
[M+CH3COO]- 294.12077 161.1
[M+Na-2H]- 256.08159 153.8
[M]+ 235.10637 148.1
[M]- 235.10747 148.1
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

No patent data available for this compound.