CID 65459241

2-cyclobutyl-1-(pyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CC(C1)CC(=O)C2=CN=CC=C2
InChI
InChI=1S/C11H13NO/c13-11(7-9-3-1-4-9)10-5-2-6-12-8-10/h2,5-6,8-9H,1,3-4,7H2
InChIKey
GTUOGCSKGCVOTB-UHFFFAOYSA-N
Compound name
2-cyclobutyl-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 134.9
[M+Na]+ 198.088938 140.1
[M-H]- 174.092444 139.6
[M+NH4]+ 193.133543 147.0
[M+K]+ 214.062878 141.1
[M+H-H2O]+ 158.096980 122.6
[M+HCOO]- 220.097921 155.3
[M+CH3COO]- 234.113571 183.6
[M+Na-2H]- 196.074386 140.8
[M]+ 175.09917142 142.0
[M]- 175.10026858 142.0
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.