CID 24695047

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

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C#CCNC(=O)C1=C(N=CC=C1)Cl
InChI
InChI=1S/C9H7ClN2O/c1-2-5-12-9(13)7-4-3-6-11-8(7)10/h1,3-4,6H,5H2,(H,12,13)
InChIKey
SHSJBBTYPAPJQA-UHFFFAOYSA-N
Compound name
2-chloro-N-prop-2-ynylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.02469 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 140.0
[M+Na]+ 217.013908 150.6
[M-H]- 193.017414 140.5
[M+NH4]+ 212.058513 156.4
[M+K]+ 232.987848 145.4
[M+H-H2O]+ 177.021950 127.9
[M+HCOO]- 239.022891 153.6
[M+CH3COO]- 253.038541 191.3
[M+Na-2H]- 214.999356 144.9
[M]+ 194.02414142 135.5
[M]- 194.02523858 135.5
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