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 150.5
[M+Na]+ 189.08860 152.6
[M-H]- 165.09210 156.0
[M+NH4]+ 184.13320 150.8
[M+K]+ 205.06254 159.8
[M+H-H2O]+ 149.09664 137.4
[M+HCOO]- 211.09758 159.3
[M+CH3COO]- 225.11323 224.3
[M+Na-2H]- 187.07405 154.8
[M]+ 166.09883 176.1
[M]- 166.09993 176.1
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.