CID 83072749

2-(butan-2-yloxy)-6-chloropyridine-4-carbonitrile

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
CCC(C)OC1=NC(=CC(=C1)C#N)Cl
InChI
InChI=1S/C10H11ClN2O/c1-3-7(2)14-10-5-8(6-12)4-9(11)13-10/h4-5,7H,3H2,1-2H3
InChIKey
WMPVQHWOHZHVOQ-UHFFFAOYSA-N
Compound name
2-butan-2-yloxy-6-chloropyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 141.5
[M+Na]+ 233.04520 152.5
[M-H]- 209.04870 143.4
[M+NH4]+ 228.08980 158.3
[M+K]+ 249.01914 148.6
[M+H-H2O]+ 193.05324 129.2
[M+HCOO]- 255.05418 156.1
[M+CH3COO]- 269.06983 198.7
[M+Na-2H]- 231.03065 146.0
[M]+ 210.05543 140.2
[M]- 210.05653 140.2
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.