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

2
Patents

146.04802 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 131.3
[M+Na]+ 169.03724 141.4
[M-H]- 145.04074 131.7
[M+NH4]+ 164.08184 148.4
[M+K]+ 185.01118 138.1
[M+H-H2O]+ 129.04528 118.8
[M+HCOO]- 191.04622 148.7
[M+CH3COO]- 205.06187 185.1
[M+Na-2H]- 167.02269 136.1
[M]+ 146.04747 124.0
[M]- 146.04857 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