CID 338596

9-(prop-2-yn-1-yl)-9h-purin-6-amine

Structural Information

Molecular Formula
C8H7N5
SMILES
C#CCN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C8H7N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h1,4-5H,3H2,(H2,9,10,11)
InChIKey
NAVKZAZXCDIPTQ-UHFFFAOYSA-N
Compound name
9-prop-2-ynylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

173.07014 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07742 134.1
[M+Na]+ 196.05936 146.5
[M-H]- 172.06286 130.9
[M+NH4]+ 191.10396 148.9
[M+K]+ 212.03330 141.5
[M+H-H2O]+ 156.06740 118.7
[M+HCOO]- 218.06834 149.7
[M+CH3COO]- 232.08399 144.9
[M+Na-2H]- 194.04481 140.4
[M]+ 173.06959 128.9
[M]- 173.07069 128.9
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