CID 19806639

1-[3-(4-chlorophenyl)pyridin-2-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C12H11ClN2
SMILES
C1=CC(=C(N=C1)CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2/c13-10-5-3-9(4-6-10)11-2-1-7-15-12(11)8-14/h1-7H,8,14H2
InChIKey
NHUULRRMPDHJNN-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)pyridin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

218.06108 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06836 146.2
[M+Na]+ 241.05030 155.6
[M-H]- 217.05380 151.2
[M+NH4]+ 236.09490 163.8
[M+K]+ 257.02424 149.6
[M+H-H2O]+ 201.05834 139.0
[M+HCOO]- 263.05928 165.7
[M+CH3COO]- 277.07493 159.1
[M+Na-2H]- 239.03575 152.8
[M]+ 218.06053 146.3
[M]- 218.06163 146.3
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