CID 22727111

[(4-chloropyridin-2-yl)methyl]dimethylamine

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CN(C)CC1=NC=CC(=C1)Cl
InChI
InChI=1S/C8H11ClN2/c1-11(2)6-8-5-7(9)3-4-10-8/h3-5H,6H2,1-2H3
InChIKey
NVKDVDORSVTRRF-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

170.06108 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.068356 133.5
[M+Na]+ 193.050298 142.3
[M-H]- 169.053804 137.2
[M+NH4]+ 188.094903 154.1
[M+K]+ 209.024238 139.9
[M+H-H2O]+ 153.058340 127.4
[M+HCOO]- 215.059281 154.0
[M+CH3COO]- 229.074931 184.3
[M+Na-2H]- 191.035746 140.7
[M]+ 170.06053142 136.4
[M]- 170.06162858 136.4
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