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-methyl-2-pyridinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

184.04034 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.047616 136.1
[M+Na]+ 207.029558 144.9
[M-H]- 183.033064 138.5
[M+NH4]+ 202.074163 155.4
[M+K]+ 223.003498 141.4
[M+H-H2O]+ 167.037600 130.3
[M+HCOO]- 229.038541 155.6
[M+CH3COO]- 243.054191 182.0
[M+Na-2H]- 205.015006 142.8
[M]+ 184.03979142 137.7
[M]- 184.04088858 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