CID 15956506

[(2z)-2-[(6-amino-2-fluoro-purin-9-yl)methylene]cyclopropyl]methanol

Structural Information

Molecular Formula
C10H10FN5O
SMILES
C\1C(/C1=C\N2C=NC3=C(N=C(N=C32)F)N)CO
InChI
InChI=1S/C10H10FN5O/c11-10-14-8(12)7-9(15-10)16(4-13-7)2-5-1-6(5)3-17/h2,4,6,17H,1,3H2,(H2,12,14,15)/b5-2-
InChIKey
BRJPHIHNMJYJFK-DJWKRKHSSA-N
Compound name
[(2Z)-2-[(6-amino-2-fluoropurin-9-yl)methylidene]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.08694 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09422 159.1
[M+Na]+ 258.07616 173.1
[M-H]- 234.07966 160.4
[M+NH4]+ 253.12076 169.2
[M+K]+ 274.05010 164.7
[M+H-H2O]+ 218.08420 149.9
[M+HCOO]- 280.08514 178.6
[M+CH3COO]- 294.10079 170.2
[M+Na-2H]- 256.06161 162.9
[M]+ 235.08639 160.9
[M]- 235.08749 160.9
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.