CID 12486338

70021-01-1

Structural Information

Molecular Formula
C8H13N7
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(CN)N)N
InChI
InChI=1S/C8H13N7/c9-1-5(10)2-15-4-14-6-7(11)12-3-13-8(6)15/h3-5H,1-2,9-10H2,(H2,11,12,13)
InChIKey
DOKBSHRTEOYKAK-UHFFFAOYSA-N
Compound name
3-(6-aminopurin-9-yl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

207.12325 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13053 143.0
[M+Na]+ 230.11247 152.5
[M-H]- 206.11597 142.3
[M+NH4]+ 225.15707 158.3
[M+K]+ 246.08641 148.8
[M+H-H2O]+ 190.12051 134.1
[M+HCOO]- 252.12145 165.2
[M+CH3COO]- 266.13710 154.7
[M+Na-2H]- 228.09792 149.6
[M]+ 207.12270 141.0
[M]- 207.12380 141.0
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

No patent data available for this compound.