CID 513887

[(1r,3s)-3-(6-amino-8-iodo-purin-9-yl)cyclopentyl]methanol

Structural Information

Molecular Formula
C11H14IN5O
SMILES
C1C[C@@H](C[C@@H]1CO)N2C3=NC=NC(=C3N=C2I)N
InChI
InChI=1S/C11H14IN5O/c12-11-16-8-9(13)14-5-15-10(8)17(11)7-2-1-6(3-7)4-18/h5-7,18H,1-4H2,(H2,13,14,15)/t6-,7+/m1/s1
InChIKey
LUTUZRMOXCRVOE-RQJHMYQMSA-N
Compound name
[(1R,3S)-3-(6-amino-8-iodopurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.02432 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03160 156.8
[M+Na]+ 382.01354 159.8
[M-H]- 358.01704 151.9
[M+NH4]+ 377.05814 167.8
[M+K]+ 397.98748 161.1
[M+H-H2O]+ 342.02158 144.9
[M+HCOO]- 404.02252 171.1
[M+CH3COO]- 418.03817 164.2
[M+Na-2H]- 379.99899 147.8
[M]+ 359.02377 153.3
[M]- 359.02487 153.3
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.