CID 50989193

3-(2-methoxyphenyl)cyclobutan-1-one

Structural Information

Molecular Formula
C11H12O2
SMILES
COC1=CC=CC=C1C2CC(=O)C2
InChI
InChI=1S/C11H12O2/c1-13-11-5-3-2-4-10(11)8-6-9(12)7-8/h2-5,8H,6-7H2,1H3
InChIKey
COAFDRNYVNBEMF-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.2
[M+Na]+ 199.07294 143.2
[M+NH4]+ 194.11754 139.4
[M+K]+ 215.04688 138.6
[M-H]- 175.07644 135.2
[M+Na-2H]- 197.05839 139.8
[M]+ 176.08317 134.6
[M]- 176.08427 134.6
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.