CID 71644340

1-(2-chloropyrimidin-4-yl)piperidin-4-amine dihydrochloride

Structural Information

Molecular Formula
C9H13ClN4
SMILES
C1CN(CCC1N)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C9H13ClN4/c10-9-12-4-1-8(13-9)14-5-2-7(11)3-6-14/h1,4,7H,2-3,5-6,11H2
InChIKey
FJTSSHUVCCKRBA-UHFFFAOYSA-N
Compound name
1-(2-chloropyrimidin-4-yl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

212.08287 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09015 146.7
[M+Na]+ 235.07209 154.1
[M-H]- 211.07559 148.1
[M+NH4]+ 230.11669 161.4
[M+K]+ 251.04603 149.3
[M+H-H2O]+ 195.08013 137.7
[M+HCOO]- 257.08107 160.0
[M+CH3COO]- 271.09672 157.5
[M+Na-2H]- 233.05754 151.8
[M]+ 212.08232 142.2
[M]- 212.08342 142.2
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