CID 55253923

2-(3,5-dichloropyridin-4-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H8Cl2N2
SMILES
C1=C(C(=C(C=N1)Cl)CCN)Cl
InChI
InChI=1S/C7H8Cl2N2/c8-6-3-11-4-7(9)5(6)1-2-10/h3-4H,1-2,10H2
InChIKey
SBUIYZHUWTVUME-UHFFFAOYSA-N
Compound name
2-(3,5-dichloro-4-pyridinyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

190.00645 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.013726 135.7
[M+Na]+ 212.995668 146.0
[M-H]- 188.999174 137.1
[M+NH4]+ 208.040273 155.2
[M+K]+ 228.969608 140.7
[M+H-H2O]+ 173.003710 131.0
[M+HCOO]- 235.004651 150.2
[M+CH3COO]- 249.020301 182.9
[M+Na-2H]- 210.981116 141.5
[M]+ 190.00590142 137.2
[M]- 190.00699858 137.2
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