CID 132365109

Methyl 6-(1-cyanocyclobutyl)pyridine-3-carboxylate

Structural Information

Molecular Formula
C12H12N2O2
SMILES
COC(=O)C1=CN=C(C=C1)C2(CCC2)C#N
InChI
InChI=1S/C12H12N2O2/c1-16-11(15)9-3-4-10(14-7-9)12(8-13)5-2-6-12/h3-4,7H,2,5-6H2,1H3
InChIKey
SBZKBRHLDQXBDD-UHFFFAOYSA-N
Compound name
methyl 6-(1-cyanocyclobutyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 143.9
[M+Na]+ 239.079088 152.1
[M-H]- 215.082594 148.3
[M+NH4]+ 234.123693 155.1
[M+K]+ 255.053028 152.9
[M+H-H2O]+ 199.087130 126.4
[M+HCOO]- 261.088071 160.8
[M+CH3COO]- 275.103721 200.8
[M+Na-2H]- 237.064536 149.1
[M]+ 216.08932142 147.3
[M]- 216.09041858 147.3
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

No patent data available for this compound.