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-chloro-3-pyridinyl)-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]+ 213.042526 142.2
[M+Na]+ 235.024468 150.5
[M-H]- 211.027974 144.7
[M+NH4]+ 230.069073 160.2
[M+K]+ 250.998408 147.3
[M+H-H2O]+ 195.032510 136.3
[M+HCOO]- 257.033451 160.9
[M+CH3COO]- 271.049101 187.1
[M+Na-2H]- 233.009916 147.3
[M]+ 212.03470142 144.4
[M]- 212.03579858 144.4
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

No patent data available for this compound.