CID 131315863

3-(pyridin-2-yloxy)cyclobutan-1-one hydrochloride

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1C(CC1=O)OC2=CC=CC=N2
InChI
InChI=1S/C9H9NO2/c11-7-5-8(6-7)12-9-3-1-2-4-10-9/h1-4,8H,5-6H2
InChIKey
UKGNOFTWLPVCOH-UHFFFAOYSA-N
Compound name
3-pyridin-2-yloxycyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 126.6
[M+Na]+ 186.05254 133.7
[M-H]- 162.05604 132.0
[M+NH4]+ 181.09714 139.5
[M+K]+ 202.02648 135.3
[M+H-H2O]+ 146.06058 114.7
[M+HCOO]- 208.06152 148.9
[M+CH3COO]- 222.07717 179.9
[M+Na-2H]- 184.03799 134.2
[M]+ 163.06277 135.4
[M]- 163.06387 135.4
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.