CID 165646210

3-methoxy-3-phenylcyclobutan-1-one

Structural Information

Molecular Formula
C11H12O2
SMILES
COC1(CC(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C11H12O2/c1-13-11(7-10(12)8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
WIYOUXRHQBFHBY-UHFFFAOYSA-N
Compound name
3-methoxy-3-phenylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 132.9
[M+Na]+ 199.072938 140.1
[M-H]- 175.076444 140.0
[M+NH4]+ 194.117543 148.6
[M+K]+ 215.046878 141.4
[M+H-H2O]+ 159.080980 122.9
[M+HCOO]- 221.081921 155.9
[M+CH3COO]- 235.097571 182.8
[M+Na-2H]- 197.058386 140.3
[M]+ 176.08317142 142.2
[M]- 176.08426858 142.2
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.