CID 14216893

2-(6-amino-9h-purin-9-yl)propanoic acid

Structural Information

Molecular Formula
C8H9N5O2
SMILES
CC(C(=O)O)N1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C8H9N5O2/c1-4(8(14)15)13-3-12-5-6(9)10-2-11-7(5)13/h2-4H,1H3,(H,14,15)(H2,9,10,11)
InChIKey
DNFSDVZNZNHNAB-UHFFFAOYSA-N
Compound name
2-(6-aminopurin-9-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

207.07562 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.082896 142.9
[M+Na]+ 230.064838 153.3
[M-H]- 206.068344 141.7
[M+NH4]+ 225.109443 158.2
[M+K]+ 246.038778 150.4
[M+H-H2O]+ 190.072880 134.8
[M+HCOO]- 252.073821 162.1
[M+CH3COO]- 266.089471 185.9
[M+Na-2H]- 228.050286 148.4
[M]+ 207.07507142 143.7
[M]- 207.07616858 143.7
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

patents stripe