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]+ 148.07570 123.9
[M+Na]+ 170.05764 131.2
[M-H]- 146.06114 129.3
[M+NH4]+ 165.10224 137.5
[M+K]+ 186.03158 132.2
[M+H-H2O]+ 130.06568 112.3
[M+HCOO]- 192.06662 146.0
[M+CH3COO]- 206.08227 178.0
[M+Na-2H]- 168.04309 131.5
[M]+ 147.06787 131.3
[M]- 147.06897 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.