CID 5273934

[2-(6-amino-purin-9-ylmethylene)-1-fluoro-cyclopropyl]-methanol

Structural Information

Molecular Formula
C10H10FN5O
SMILES
C1C(=CN2C=NC3=C(N=CN=C32)N)C1(CO)F
InChI
InChI=1S/C10H10FN5O/c11-10(3-17)1-6(10)2-16-5-15-7-8(12)13-4-14-9(7)16/h2,4-5,17H,1,3H2,(H2,12,13,14)
InChIKey
DEWVDXMTCPEVBN-UHFFFAOYSA-N
Compound name
[2-[(6-aminopurin-9-yl)methylidene]-1-fluorocyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

235.08694 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09422 158.3
[M+Na]+ 258.07616 172.2
[M-H]- 234.07966 159.6
[M+NH4]+ 253.12076 170.0
[M+K]+ 274.05010 164.9
[M+H-H2O]+ 218.08420 149.7
[M+HCOO]- 280.08514 177.6
[M+CH3COO]- 294.10079 169.5
[M+Na-2H]- 256.06161 163.9
[M]+ 235.08639 160.2
[M]- 235.08749 160.2
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.