CID 59843549

N-[(6-chloropyridin-3-yl)methyl]-n-methylacetamide

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
CC(=O)N(C)CC1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H11ClN2O/c1-7(13)12(2)6-8-3-4-9(10)11-5-8/h3-5H,6H2,1-2H3
InChIKey
FFKDBDOYQUWIEU-UHFFFAOYSA-N
Compound name
N-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

26
Patents

198.05598 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 140.1
[M+Na]+ 221.04520 148.6
[M-H]- 197.04870 143.9
[M+NH4]+ 216.08980 159.5
[M+K]+ 237.01914 146.3
[M+H-H2O]+ 181.05324 133.9
[M+HCOO]- 243.05418 159.8
[M+CH3COO]- 257.06983 188.5
[M+Na-2H]- 219.03065 145.6
[M]+ 198.05543 143.5
[M]- 198.05653 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe