CID 286472

9-(3-aminopropyl)-9h-purin-6-amine dihydrochloride

Structural Information

Molecular Formula
C8H12N6
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCCN)N
InChI
InChI=1S/C8H12N6/c9-2-1-3-14-5-13-6-7(10)11-4-12-8(6)14/h4-5H,1-3,9H2,(H2,10,11,12)
InChIKey
KQPXGPRXAFCZHY-UHFFFAOYSA-N
Compound name
9-(3-aminopropyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1571
Patents

192.11235 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.11963 139.9
[M+Na]+ 215.10157 150.6
[M-H]- 191.10507 139.3
[M+NH4]+ 210.14617 156.4
[M+K]+ 231.07551 146.6
[M+H-H2O]+ 175.10961 131.2
[M+HCOO]- 237.11055 162.6
[M+CH3COO]- 251.12620 152.4
[M+Na-2H]- 213.08702 147.9
[M]+ 192.11180 140.1
[M]- 192.11290 140.1
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