CID 80631500

6-(2-propyn-1-yloxy)-3-pyridinecarboxaldehyde

Structural Information

Molecular Formula
C9H7NO2
SMILES
C#CCOC1=NC=C(C=C1)C=O
InChI
InChI=1S/C9H7NO2/c1-2-5-12-9-4-3-8(7-11)6-10-9/h1,3-4,6-7H,5H2
InChIKey
PMRMSQMOWUTDDH-UHFFFAOYSA-N
Compound name
6-prop-2-ynoxypyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

161.04768 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 130.2
[M+Na]+ 184.036898 141.0
[M-H]- 160.040404 131.0
[M+NH4]+ 179.081503 147.4
[M+K]+ 200.010838 137.8
[M+H-H2O]+ 144.044940 117.6
[M+HCOO]- 206.045881 148.3
[M+CH3COO]- 220.061531 185.2
[M+Na-2H]- 182.022346 136.7
[M]+ 161.04713142 126.8
[M]- 161.04822858 126.8
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