CID 24704763

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.02469 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03197 140.0
[M+Na]+ 217.01391 150.6
[M-H]- 193.01741 140.5
[M+NH4]+ 212.05851 156.4
[M+K]+ 232.98785 145.4
[M+H-H2O]+ 177.02195 127.9
[M+HCOO]- 239.02289 153.6
[M+CH3COO]- 253.03854 191.3
[M+Na-2H]- 214.99936 144.9
[M]+ 194.02414 135.5
[M]- 194.02524 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