CID 45480354

(7h-purin-6-yl)methanamine

Structural Information

Molecular Formula
C6H7N5
SMILES
C1=NC2=NC=NC(=C2N1)CN
InChI
InChI=1S/C6H7N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,1,7H2,(H,8,9,10,11)
InChIKey
FELHYNZKVDMRSU-UHFFFAOYSA-N
Compound name
7H-purin-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

149.07014 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.077416 127.6
[M+Na]+ 172.059358 138.7
[M-H]- 148.062864 126.0
[M+NH4]+ 167.103963 145.4
[M+K]+ 188.033298 134.7
[M+H-H2O]+ 132.067400 119.5
[M+HCOO]- 194.068341 149.0
[M+CH3COO]- 208.083991 140.7
[M+Na-2H]- 170.044806 137.3
[M]+ 149.06959142 126.5
[M]- 149.07068858 126.5
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