CID 145874754

6-cyclobutylpyridine-3-carbaldehyde

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC(C1)C2=NC=C(C=C2)C=O
InChI
InChI=1S/C10H11NO/c12-7-8-4-5-10(11-6-8)9-2-1-3-9/h4-7,9H,1-3H2
InChIKey
NKRLBIVXKCCORB-UHFFFAOYSA-N
Compound name
6-cyclobutylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 128.6
[M+Na]+ 184.07328 135.5
[M-H]- 160.07678 133.9
[M+NH4]+ 179.11788 141.7
[M+K]+ 200.04722 136.3
[M+H-H2O]+ 144.08132 116.8
[M+HCOO]- 206.08226 150.4
[M+CH3COO]- 220.09791 180.9
[M+Na-2H]- 182.05873 135.7
[M]+ 161.08351 136.4
[M]- 161.08461 136.4
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.