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]+ 176.10700 134.9
[M+Na]+ 198.08894 140.1
[M-H]- 174.09244 139.6
[M+NH4]+ 193.13354 147.0
[M+K]+ 214.06288 141.1
[M+H-H2O]+ 158.09698 122.6
[M+HCOO]- 220.09792 155.3
[M+CH3COO]- 234.11357 183.6
[M+Na-2H]- 196.07439 140.8
[M]+ 175.09917 142.0
[M]- 175.10027 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.