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]+ 177.090996 130.8
[M+Na]+ 199.072938 138.0
[M-H]- 175.076444 137.8
[M+NH4]+ 194.117543 144.9
[M+K]+ 215.046878 139.2
[M+H-H2O]+ 159.080980 120.0
[M+HCOO]- 221.081921 153.8
[M+CH3COO]- 235.097571 184.3
[M+Na-2H]- 197.058386 136.7
[M]+ 176.08317142 140.2
[M]- 176.08426858 140.2
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.