CID 83073776

2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
CC(C)COC1=NC(=CC(=C1)C#N)Cl
InChI
InChI=1S/C10H11ClN2O/c1-7(2)6-14-10-4-8(5-12)3-9(11)13-10/h3-4,7H,6H2,1-2H3
InChIKey
MIWVHDUOLARRSJ-UHFFFAOYSA-N
Compound name
2-chloro-6-(2-methylpropoxy)pyridine-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]+ 211.063256 141.5
[M+Na]+ 233.045198 152.5
[M-H]- 209.048704 143.4
[M+NH4]+ 228.089803 158.3
[M+K]+ 249.019138 148.6
[M+H-H2O]+ 193.053240 129.2
[M+HCOO]- 255.054181 156.1
[M+CH3COO]- 269.069831 198.7
[M+Na-2H]- 231.030646 146.0
[M]+ 210.05543142 140.2
[M]- 210.05652858 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.