CID 91654403

5-ethynylpyridine-3-carboxamide

Structural Information

Molecular Formula
C8H6N2O
SMILES
C#CC1=CC(=CN=C1)C(=O)N
InChI
InChI=1S/C8H6N2O/c1-2-6-3-7(8(9)11)5-10-4-6/h1,3-5H,(H2,9,11)
InChIKey
YRYRNARTYZUBAF-UHFFFAOYSA-N
Compound name
5-ethynylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

146.04802 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.055296 131.3
[M+Na]+ 169.037238 141.4
[M-H]- 145.040744 131.7
[M+NH4]+ 164.081843 148.4
[M+K]+ 185.011178 138.1
[M+H-H2O]+ 129.045280 118.8
[M+HCOO]- 191.046221 148.7
[M+CH3COO]- 205.061871 185.1
[M+Na-2H]- 167.022686 136.1
[M]+ 146.04747142 124.0
[M]- 146.04856858 124.0
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