CID 77134444

3-(pyridin-4-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C9H9NO
SMILES
C1C(CC1=O)C2=CC=NC=C2
InChI
InChI=1S/C9H9NO/c11-9-5-8(6-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2
InChIKey
FPVXFPOPIJDSQA-UHFFFAOYSA-N
Compound name
3-pyridin-4-ylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.06842 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 123.9
[M+Na]+ 170.057638 131.2
[M-H]- 146.061144 129.3
[M+NH4]+ 165.102243 137.5
[M+K]+ 186.031578 132.2
[M+H-H2O]+ 130.065680 112.3
[M+HCOO]- 192.066621 146.0
[M+CH3COO]- 206.082271 178.0
[M+Na-2H]- 168.043086 131.5
[M]+ 147.06787142 131.3
[M]- 147.06896858 131.3
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.