CID 86262530

9-(2-aminobutyl)-9h-purin-6-amine trihydrochloride

Structural Information

Molecular Formula
C9H14N6
SMILES
CCC(CN1C=NC2=C(N=CN=C21)N)N
InChI
InChI=1S/C9H14N6/c1-2-6(10)3-15-5-14-7-8(11)12-4-13-9(7)15/h4-6H,2-3,10H2,1H3,(H2,11,12,13)
InChIKey
JRWDQVXXQPBKQK-UHFFFAOYSA-N
Compound name
9-(2-aminobutyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.12799 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.135266 145.3
[M+Na]+ 229.117208 155.2
[M-H]- 205.120714 144.7
[M+NH4]+ 224.161813 161.2
[M+K]+ 245.091148 151.5
[M+H-H2O]+ 189.125250 136.5
[M+HCOO]- 251.126191 166.6
[M+CH3COO]- 265.141841 157.2
[M+Na-2H]- 227.102656 151.5
[M]+ 206.12744142 145.2
[M]- 206.12853858 145.2
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

No patent data available for this compound.