CID 469699

Nsc641274

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C1[C@@H](CO[C@@H]1N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-1-6(2-16)3-17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m1/s1
InChIKey
SYBMTGKJDWJTQS-RQJHMYQMSA-N
Compound name
[(3R,5S)-5-(6-aminopurin-9-yl)oxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

235.10692 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 149.5
[M+Na]+ 258.09614 159.4
[M-H]- 234.09964 152.0
[M+NH4]+ 253.14074 164.2
[M+K]+ 274.07008 156.7
[M+H-H2O]+ 218.10418 140.9
[M+HCOO]- 280.10512 168.3
[M+CH3COO]- 294.12077 161.4
[M+Na-2H]- 256.08159 153.3
[M]+ 235.10637 149.5
[M]- 235.10747 149.5
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.