CID 2815031

Nb001

Structural Information

Molecular Formula
C12H20N6O
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCNCCCCCO)N
InChI
InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)
InChIKey
CVPTTZZCRDVGSU-UHFFFAOYSA-N
Compound name
5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

19
References

39
Patents

264.16986 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17714 159.6
[M+Na]+ 287.15908 167.8
[M-H]- 263.16258 157.4
[M+NH4]+ 282.20368 172.6
[M+K]+ 303.13302 162.9
[M+H-H2O]+ 247.16712 150.1
[M+HCOO]- 309.16806 180.2
[M+CH3COO]- 323.18371 199.7
[M+Na-2H]- 285.14453 166.2
[M]+ 264.16931 161.6
[M]- 264.17041 161.6
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