CID 3011508

[(1r,2s)-2-[(6-aminopurin-9-yl)methyl]-2-fluoro-cyclopropyl]methanol

Structural Information

Molecular Formula
C10H12FN5O
SMILES
C1[C@@H]([C@@]1(CN2C=NC3=C(N=CN=C32)N)F)CO
InChI
InChI=1S/C10H12FN5O/c11-10(1-6(10)2-17)3-16-5-15-7-8(12)13-4-14-9(7)16/h4-6,17H,1-3H2,(H2,12,13,14)/t6-,10-/m1/s1
InChIKey
SXCZRUCJBBDYFN-LHLIQPBNSA-N
Compound name
[(1R,2S)-2-[(6-aminopurin-9-yl)methyl]-2-fluorocyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.10258 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10986 158.2
[M+Na]+ 260.09180 171.7
[M-H]- 236.09530 159.4
[M+NH4]+ 255.13640 169.9
[M+K]+ 276.06574 165.1
[M+H-H2O]+ 220.09984 149.5
[M+HCOO]- 282.10078 177.4
[M+CH3COO]- 296.11643 169.4
[M+Na-2H]- 258.07725 163.9
[M]+ 237.10203 160.8
[M]- 237.10313 160.8
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.