CID 24704702

2-[methyl(7h-purin-6-yl)amino]acetic acid

Structural Information

Molecular Formula
C8H9N5O2
SMILES
CN(CC(=O)O)C1=NC=NC2=C1NC=N2
InChI
InChI=1S/C8H9N5O2/c1-13(2-5(14)15)8-6-7(10-3-9-6)11-4-12-8/h3-4H,2H2,1H3,(H,14,15)(H,9,10,11,12)
InChIKey
ZSGVBHCWQGRFDO-UHFFFAOYSA-N
Compound name
2-[methyl(7H-purin-6-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

207.07562 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.082896 141.8
[M+Na]+ 230.064838 151.2
[M-H]- 206.068344 140.7
[M+NH4]+ 225.109443 157.1
[M+K]+ 246.038778 148.7
[M+H-H2O]+ 190.072880 133.3
[M+HCOO]- 252.073821 161.7
[M+CH3COO]- 266.089471 185.2
[M+Na-2H]- 228.050286 149.2
[M]+ 207.07507142 143.2
[M]- 207.07616858 143.2
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

patents stripe