CID 22113222

N-(5-formylpyridin-2-yl)acetamide

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CC(=O)NC1=NC=C(C=C1)C=O
InChI
InChI=1S/C8H8N2O2/c1-6(12)10-8-3-2-7(5-11)4-9-8/h2-5H,1H3,(H,9,10,12)
InChIKey
VVDNQGICIUVXTD-UHFFFAOYSA-N
Compound name
N-(5-formyl-2-pyridinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

164.05858 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 131.8
[M+Na]+ 187.047798 140.1
[M-H]- 163.051304 134.5
[M+NH4]+ 182.092403 150.9
[M+K]+ 203.021738 138.5
[M+H-H2O]+ 147.055840 125.2
[M+HCOO]- 209.056781 156.4
[M+CH3COO]- 223.072431 179.3
[M+Na-2H]- 185.033246 139.0
[M]+ 164.05803142 132.3
[M]- 164.05912858 132.3
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