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 130.8
[M+Na]+ 199.07294 138.0
[M-H]- 175.07644 137.8
[M+NH4]+ 194.11754 144.9
[M+K]+ 215.04688 139.2
[M+H-H2O]+ 159.08098 120.0
[M+HCOO]- 221.08192 153.8
[M+CH3COO]- 235.09757 184.3
[M+Na-2H]- 197.05839 136.7
[M]+ 176.08317 140.2
[M]- 176.08427 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.