CID 132365109

2155855-35-7

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]+ 217.09715 143.9
[M+Na]+ 239.07909 152.1
[M-H]- 215.08259 148.3
[M+NH4]+ 234.12369 155.1
[M+K]+ 255.05303 152.9
[M+H-H2O]+ 199.08713 126.4
[M+HCOO]- 261.08807 160.8
[M+CH3COO]- 275.10372 200.8
[M+Na-2H]- 237.06454 149.1
[M]+ 216.08932 147.3
[M]- 216.09042 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.