CID 5053898

2-chloro-n-(prop-2-en-1-yl)pyridine-3-carboxamide

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
C=CCNC(=O)C1=C(N=CC=C1)Cl
InChI
InChI=1S/C9H9ClN2O/c1-2-5-12-9(13)7-4-3-6-11-8(7)10/h2-4,6H,1,5H2,(H,12,13)
InChIKey
SQXLOORDWUCSDQ-UHFFFAOYSA-N
Compound name
2-chloro-N-prop-2-enylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04762 139.6
[M+Na]+ 219.02956 148.3
[M-H]- 195.03306 141.9
[M+NH4]+ 214.07416 158.3
[M+K]+ 235.00350 144.0
[M+H-H2O]+ 179.03760 133.7
[M+HCOO]- 241.03854 159.0
[M+CH3COO]- 255.05419 184.1
[M+Na-2H]- 217.01501 145.8
[M]+ 196.03979 140.9
[M]- 196.04089 140.9
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.