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]+ 207.13527 145.3
[M+Na]+ 229.11721 155.2
[M-H]- 205.12071 144.7
[M+NH4]+ 224.16181 161.2
[M+K]+ 245.09115 151.5
[M+H-H2O]+ 189.12525 136.5
[M+HCOO]- 251.12619 166.6
[M+CH3COO]- 265.14184 157.2
[M+Na-2H]- 227.10266 151.5
[M]+ 206.12744 145.2
[M]- 206.12854 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.