CID 10330677

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
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

patents stripe