CID 4100059

2-amino-2-(6-aminopurin-9-yl)acetic acid

Structural Information

Molecular Formula
C7H8N6O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)C(C(=O)O)N)N
InChI
InChI=1S/C7H8N6O2/c8-4-3-6(11-1-10-4)13(2-12-3)5(9)7(14)15/h1-2,5H,9H2,(H,14,15)(H2,8,10,11)
InChIKey
DDYHJWQIVFWXCX-UHFFFAOYSA-N
Compound name
2-amino-2-(6-aminopurin-9-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

208.07088 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07816 141.4
[M+Na]+ 231.06010 151.4
[M-H]- 207.06360 140.1
[M+NH4]+ 226.10470 156.1
[M+K]+ 247.03404 148.4
[M+H-H2O]+ 191.06814 133.2
[M+HCOO]- 253.06908 161.5
[M+CH3COO]- 267.08473 187.7
[M+Na-2H]- 229.04555 147.2
[M]+ 208.07033 140.3
[M]- 208.07143 140.3
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