CID 132398561

Methyl 6-cyclobutylpyridine-3-carboxylate

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1=CN=C(C=C1)C2CCC2
InChI
InChI=1S/C11H13NO2/c1-14-11(13)9-5-6-10(12-7-9)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKey
UTAYEUMKUJOTJL-UHFFFAOYSA-N
Compound name
methyl 6-cyclobutylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 138.0
[M+Na]+ 214.08386 143.9
[M-H]- 190.08736 143.1
[M+NH4]+ 209.12846 149.7
[M+K]+ 230.05780 145.5
[M+H-H2O]+ 174.09190 125.7
[M+HCOO]- 236.09284 158.6
[M+CH3COO]- 250.10849 185.9
[M+Na-2H]- 212.06931 143.1
[M]+ 191.09409 146.7
[M]- 191.09519 146.7
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.