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

44
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

literature stripe

Patent stripe

patents stripe