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]+ 208.08290 141.8
[M+Na]+ 230.06484 151.2
[M-H]- 206.06834 140.7
[M+NH4]+ 225.10944 157.1
[M+K]+ 246.03878 148.7
[M+H-H2O]+ 190.07288 133.3
[M+HCOO]- 252.07382 161.7
[M+CH3COO]- 266.08947 185.2
[M+Na-2H]- 228.05029 149.2
[M]+ 207.07507 143.2
[M]- 207.07617 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