CID 72212306

(4,6-dichloropyridin-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C6H6Cl2N2
SMILES
C1=C(C(=CN=C1Cl)CN)Cl
InChI
InChI=1S/C6H6Cl2N2/c7-5-1-6(8)10-3-4(5)2-9/h1,3H,2,9H2
InChIKey
JFGSACPJTUATFY-UHFFFAOYSA-N
Compound name
(4,6-dichloropyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.9908 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99808 131.1
[M+Na]+ 198.98002 141.8
[M-H]- 174.98352 132.6
[M+NH4]+ 194.02462 151.1
[M+K]+ 214.95396 136.8
[M+H-H2O]+ 158.98806 126.6
[M+HCOO]- 220.98900 145.9
[M+CH3COO]- 235.00465 180.0
[M+Na-2H]- 196.96547 137.4
[M]+ 175.99025 132.2
[M]- 175.99135 132.2
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

No patent data available for this compound.