CID 86071301

N-(6-acetamidopyridin-2-yl)prop-2-enamide

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC(=O)NC1=NC(=CC=C1)NC(=O)C=C
InChI
InChI=1S/C10H11N3O2/c1-3-10(15)13-9-6-4-5-8(12-9)11-7(2)14/h3-6H,1H2,2H3,(H2,11,12,13,14,15)
InChIKey
QMSKVFNOISDAPE-UHFFFAOYSA-N
Compound name
N-(6-acetamidopyridin-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

205.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 144.6
[M+Na]+ 228.07435 151.2
[M-H]- 204.07785 147.0
[M+NH4]+ 223.11895 161.5
[M+K]+ 244.04829 149.0
[M+H-H2O]+ 188.08239 137.2
[M+HCOO]- 250.08333 168.6
[M+CH3COO]- 264.09898 189.8
[M+Na-2H]- 226.05980 149.8
[M]+ 205.08458 143.5
[M]- 205.08568 143.5
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