CID 24695049

6-(2-methoxyethoxy)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C9H10N2O2
SMILES
COCCOC1=NC=C(C=C1)C#N
InChI
InChI=1S/C9H10N2O2/c1-12-4-5-13-9-3-2-8(6-10)7-11-9/h2-3,7H,4-5H2,1H3
InChIKey
JNFWYSQNFRCPTR-UHFFFAOYSA-N
Compound name
6-(2-methoxyethoxy)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 133.5
[M+Na]+ 201.06345 143.5
[M-H]- 177.06695 135.3
[M+NH4]+ 196.10805 150.4
[M+K]+ 217.03739 141.7
[M+H-H2O]+ 161.07149 120.2
[M+HCOO]- 223.07243 153.6
[M+CH3COO]- 237.08808 192.7
[M+Na-2H]- 199.04890 140.8
[M]+ 178.07368 131.7
[M]- 178.07478 131.7
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

No patent data available for this compound.