CID 165885623

1-[3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-yl]ethan-1-one

Structural Information

Molecular Formula
C10H14O2
SMILES
CC(=O)C12CC(C1)(C2)C3COC3
InChI
InChI=1S/C10H14O2/c1-7(11)9-4-10(5-9,6-9)8-2-12-3-8/h8H,2-6H2,1H3
InChIKey
MQKYKFYZXIKEEC-UHFFFAOYSA-N
Compound name
1-[3-(oxetan-3-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 163.4
[M+Na]+ 189.08860 158.5
[M+NH4]+ 184.13320 161.0
[M+K]+ 205.06254 157.7
[M-H]- 165.09210 157.8
[M+Na-2H]- 187.07405 158.7
[M]+ 166.09883 158.4
[M]- 166.09993 158.4
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.