CID 146832

94535-32-7

Structural Information

Molecular Formula
C8H9N5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(C(=O)O)O)N
InChI
InChI=1S/C8H9N5O3/c9-6-5-7(11-2-10-6)13(3-12-5)1-4(14)8(15)16/h2-4,14H,1H2,(H,15,16)(H2,9,10,11)
InChIKey
UHOFECKRSHSYNE-UHFFFAOYSA-N
Compound name
3-(6-aminopurin-9-yl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

44
Patents

223.07054 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07782 145.6
[M+Na]+ 246.05976 155.3
[M-H]- 222.06326 143.1
[M+NH4]+ 241.10436 159.4
[M+K]+ 262.03370 152.2
[M+H-H2O]+ 206.06780 137.6
[M+HCOO]- 268.06874 163.5
[M+CH3COO]- 282.08439 185.8
[M+Na-2H]- 244.04521 150.8
[M]+ 223.06999 146.0
[M]- 223.07109 146.0
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