CID 5151119

2-chloro-n-(5-methyl-2-pyridinyl)acetamide

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CC1=CN=C(C=C1)NC(=O)CCl
InChI
InChI=1S/C8H9ClN2O/c1-6-2-3-7(10-5-6)11-8(12)4-9/h2-3,5H,4H2,1H3,(H,10,11,12)
InChIKey
RFGPQTBLGABJQR-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-methylpyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

184.04034 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 136.1
[M+Na]+ 207.02956 144.9
[M-H]- 183.03306 138.5
[M+NH4]+ 202.07416 155.4
[M+K]+ 223.00350 141.4
[M+H-H2O]+ 167.03760 130.3
[M+HCOO]- 229.03854 155.6
[M+CH3COO]- 243.05419 182.0
[M+Na-2H]- 205.01501 142.8
[M]+ 184.03979 137.7
[M]- 184.04089 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