CID 11446641

3-(4-methoxyphenyl)cyclobutan-1-one

Structural Information

Molecular Formula
C11H12O2
SMILES
COC1=CC=C(C=C1)C2CC(=O)C2
InChI
InChI=1S/C11H12O2/c1-13-11-4-2-8(3-5-11)9-6-10(12)7-9/h2-5,9H,6-7H2,1H3
InChIKey
LXEFTIJELDKOQB-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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

literature stripe

Patent stripe

patents stripe