CID 5272911

4-(6-aminopurin-9-yl)-5-fluoro-pentan-1-ol

Structural Information

Molecular Formula
C10H14FN5O
SMILES
C1=NC(=C2C(=N1)N(C=N2)C(CCCO)CF)N
InChI
InChI=1S/C10H14FN5O/c11-4-7(2-1-3-17)16-6-15-8-9(12)13-5-14-10(8)16/h5-7,17H,1-4H2,(H2,12,13,14)
InChIKey
KZDXNEUFTLPGET-UHFFFAOYSA-N
Compound name
4-(6-aminopurin-9-yl)-5-fluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12552 151.6
[M+Na]+ 262.10746 161.2
[M-H]- 238.11096 148.4
[M+NH4]+ 257.15206 165.8
[M+K]+ 278.08140 156.9
[M+H-H2O]+ 222.11550 141.9
[M+HCOO]- 284.11644 169.7
[M+CH3COO]- 298.13209 192.2
[M+Na-2H]- 260.09291 156.6
[M]+ 239.11769 151.9
[M]- 239.11879 151.9
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.