CID 181933

2-amino-3-(6-aminopurin-9-yl)propan-1-ol

Structural Information

Molecular Formula
C8H12N6O
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(CO)N)N
InChI
InChI=1S/C8H12N6O/c9-5(2-15)1-14-4-13-6-7(10)11-3-12-8(6)14/h3-5,15H,1-2,9H2,(H2,10,11,12)
InChIKey
BFJUISSVLRJUGC-UHFFFAOYSA-N
Compound name
2-amino-3-(6-aminopurin-9-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

208.10725 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11453 143.5
[M+Na]+ 231.09647 153.3
[M-H]- 207.09997 141.8
[M+NH4]+ 226.14107 158.5
[M+K]+ 247.07041 149.5
[M+H-H2O]+ 191.10451 135.1
[M+HCOO]- 253.10545 163.9
[M+CH3COO]- 267.12110 155.1
[M+Na-2H]- 229.08192 149.9
[M]+ 208.10670 142.6
[M]- 208.10780 142.6
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.