CID 84662987

[(3,5-dichloropyridin-4-yl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C7H8Cl2N2
SMILES
CNCC1=C(C=NC=C1Cl)Cl
InChI
InChI=1S/C7H8Cl2N2/c1-10-2-5-6(8)3-11-4-7(5)9/h3-4,10H,2H2,1H3
InChIKey
RLTJEWXINYCSHC-UHFFFAOYSA-N
Compound name
1-(3,5-dichloro-4-pyridinyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.00645 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01373 135.3
[M+Na]+ 212.99567 145.6
[M-H]- 188.99917 137.1
[M+NH4]+ 208.04027 155.0
[M+K]+ 228.96961 140.6
[M+H-H2O]+ 173.00371 130.5
[M+HCOO]- 235.00465 150.3
[M+CH3COO]- 249.02030 183.6
[M+Na-2H]- 210.98112 142.1
[M]+ 190.00590 137.7
[M]- 190.00700 137.7
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.