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]+ 191.013726 135.3
[M+Na]+ 212.995668 145.6
[M-H]- 188.999174 137.1
[M+NH4]+ 208.040273 155.0
[M+K]+ 228.969608 140.6
[M+H-H2O]+ 173.003710 130.5
[M+HCOO]- 235.004651 150.3
[M+CH3COO]- 249.020301 183.6
[M+Na-2H]- 210.981116 142.1
[M]+ 190.00590142 137.7
[M]- 190.00699858 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

patents stripe