CID 135480592

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

Structural Information

Molecular Formula
C11H14FN5O2
SMILES
C1[C@](C1(CO)CO)(CN2C=NC3=C(C2=N)NC=N3)F
InChI
InChI=1S/C11H14FN5O2/c12-11(1-10(11,3-18)4-19)2-17-6-16-9-7(8(17)13)14-5-15-9/h5-6,13,18-19H,1-4H2,(H,14,15)/t11-/m1/s1
InChIKey
NHGKNIWJFFZIAA-LLVKDONJSA-N
Compound name
[(2S)-2-fluoro-1-(hydroxymethyl)-2-[(6-imino-7H-purin-1-yl)methyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.11316 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12044 163.2
[M+Na]+ 290.10238 176.4
[M-H]- 266.10588 162.7
[M+NH4]+ 285.14698 174.5
[M+K]+ 306.07632 169.1
[M+H-H2O]+ 250.11042 156.1
[M+HCOO]- 312.11136 179.8
[M+CH3COO]- 326.12701 173.4
[M+Na-2H]- 288.08783 170.0
[M]+ 267.11261 165.2
[M]- 267.11371 165.2
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.