CID 24701731

1-(1h-purin-6-yl)piperidin-4-amine dihydrochloride

Structural Information

Molecular Formula
C10H14N6
SMILES
C1CN(CCC1N)C2=NC=NC3=C2NC=N3
InChI
InChI=1S/C10H14N6/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)
InChIKey
HPTRRFNSSSRNEL-UHFFFAOYSA-N
Compound name
1-(7H-purin-6-yl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

218.12799 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.135266 149.0
[M+Na]+ 241.117208 157.5
[M-H]- 217.120714 148.3
[M+NH4]+ 236.161813 162.1
[M+K]+ 257.091148 151.9
[M+H-H2O]+ 201.125250 138.7
[M+HCOO]- 263.126191 164.6
[M+CH3COO]- 277.141841 159.1
[M+Na-2H]- 239.102656 154.9
[M]+ 218.12744142 143.5
[M]- 218.12853858 143.5
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