CID 54592598

1-(pyrimidin-4-yl)piperidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H14N4
SMILES
C1CC(CN(C1)C2=NC=NC=C2)N
InChI
InChI=1S/C9H14N4/c10-8-2-1-5-13(6-8)9-3-4-11-7-12-9/h3-4,7-8H,1-2,5-6,10H2
InChIKey
AYHGBQRVBWIMAJ-UHFFFAOYSA-N
Compound name
1-pyrimidin-4-ylpiperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

178.12184 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.129116 140.3
[M+Na]+ 201.111058 146.1
[M-H]- 177.114564 141.6
[M+NH4]+ 196.155663 155.3
[M+K]+ 217.084998 143.0
[M+H-H2O]+ 161.119100 130.8
[M+HCOO]- 223.120041 158.4
[M+CH3COO]- 237.135691 151.2
[M+Na-2H]- 199.096506 146.7
[M]+ 178.12129142 133.5
[M]- 178.12238858 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe