CID 135480591

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

Structural Information

Molecular Formula
C10H12FN5O
SMILES
C1[C@H]([C@@]1(CN2C=NC3=C(C2=N)NC=N3)F)CO
InChI
InChI=1S/C10H12FN5O/c11-10(1-6(10)2-17)3-16-5-15-9-7(8(16)12)13-4-14-9/h4-6,12,17H,1-3H2,(H,13,14)/t6-,10+/m0/s1
InChIKey
DRUSVCMAPVOWDF-QUBYGPBYSA-N
Compound name
[(1S,2S)-2-fluoro-2-[(6-imino-7H-purin-1-yl)methyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.10258 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10986 157.4
[M+Na]+ 260.09180 170.8
[M-H]- 236.09530 157.9
[M+NH4]+ 255.13640 168.7
[M+K]+ 276.06574 163.1
[M+H-H2O]+ 220.09984 149.1
[M+HCOO]- 282.10078 175.9
[M+CH3COO]- 296.11643 168.3
[M+Na-2H]- 258.07725 163.7
[M]+ 237.10203 158.6
[M]- 237.10313 158.6
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.