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-dichloropyridin-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

190.00645 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01373 135.7
[M+Na]+ 212.99567 146.0
[M-H]- 188.99917 137.1
[M+NH4]+ 208.04027 155.2
[M+K]+ 228.96961 140.7
[M+H-H2O]+ 173.00371 131.0
[M+HCOO]- 235.00465 150.2
[M+CH3COO]- 249.02030 182.9
[M+Na-2H]- 210.98112 141.5
[M]+ 190.00590 137.2
[M]- 190.00700 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