CID 22958308

2-(1h-imidazol-1-yl)-1h-purin-6-amine

Structural Information

Molecular Formula
C8H7N7
SMILES
C1=CN(C=N1)C2=NC(=C3C(=N2)N=CN3)N
InChI
InChI=1S/C8H7N7/c9-6-5-7(12-3-11-5)14-8(13-6)15-2-1-10-4-15/h1-4H,(H3,9,11,12,13,14)
InChIKey
RTBQOOYHJRQSQU-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

201.0763 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08358 140.3
[M+Na]+ 224.06552 152.6
[M-H]- 200.06902 140.4
[M+NH4]+ 219.11012 154.9
[M+K]+ 240.03946 147.4
[M+H-H2O]+ 184.07356 130.5
[M+HCOO]- 246.07450 160.5
[M+CH3COO]- 260.09015 152.6
[M+Na-2H]- 222.05097 147.2
[M]+ 201.07575 139.9
[M]- 201.07685 139.9
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