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

31
Patents

212.08287 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090146 146.7
[M+Na]+ 235.072088 154.1
[M-H]- 211.075594 148.1
[M+NH4]+ 230.116693 161.4
[M+K]+ 251.046028 149.3
[M+H-H2O]+ 195.080130 137.7
[M+HCOO]- 257.081071 160.0
[M+CH3COO]- 271.096721 157.5
[M+Na-2H]- 233.057536 151.8
[M]+ 212.08232142 142.2
[M]- 212.08341858 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