CID 18072692

N-(2-chloropyridin-3-yl)-3-oxobutanamide

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
CC(=O)CC(=O)NC1=C(N=CC=C1)Cl
InChI
InChI=1S/C9H9ClN2O2/c1-6(13)5-8(14)12-7-3-2-4-11-9(7)10/h2-4H,5H2,1H3,(H,12,14)
InChIKey
LPDMCLJJZJFIRK-UHFFFAOYSA-N
Compound name
N-(2-chloropyridin-3-yl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03525 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 142.7
[M+Na]+ 235.02447 154.8
[M+NH4]+ 230.06907 149.9
[M+K]+ 250.99841 149.2
[M-H]- 211.02797 143.6
[M+Na-2H]- 233.00992 148.7
[M]+ 212.03470 144.7
[M]- 212.03580 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.