CID 39911814

N-(prop-2-yn-1-yl)pyridine-2-carboxamide

Structural Information

Molecular Formula
C9H8N2O
SMILES
C#CCNC(=O)C1=CC=CC=N1
InChI
InChI=1S/C9H8N2O/c1-2-6-11-9(12)8-5-3-4-7-10-8/h1,3-5,7H,6H2,(H,11,12)
InChIKey
JTLXTKPUWOGNRT-UHFFFAOYSA-N
Compound name
N-prop-2-ynylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

160.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 135.1
[M+Na]+ 183.05288 144.0
[M-H]- 159.05638 135.4
[M+NH4]+ 178.09748 151.6
[M+K]+ 199.02682 140.6
[M+H-H2O]+ 143.06092 122.0
[M+HCOO]- 205.06186 152.7
[M+CH3COO]- 219.07751 186.8
[M+Na-2H]- 181.03833 141.0
[M]+ 160.06311 128.5
[M]- 160.06421 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe