CID 146081937

1-[4-(2-methyloxetan-2-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C12H14O2
SMILES
CC(=O)C1=CC=C(C=C1)C2(CCO2)C
InChI
InChI=1S/C12H14O2/c1-9(13)10-3-5-11(6-4-10)12(2)7-8-14-12/h3-6H,7-8H2,1-2H3
InChIKey
JFHWIZOODQZQEK-UHFFFAOYSA-N
Compound name
1-[4-(2-methyloxetan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 137.6
[M+Na]+ 213.088598 144.1
[M-H]- 189.092104 145.2
[M+NH4]+ 208.133203 151.5
[M+K]+ 229.062538 146.7
[M+H-H2O]+ 173.096640 127.5
[M+HCOO]- 235.097581 158.3
[M+CH3COO]- 249.113231 186.5
[M+Na-2H]- 211.074046 144.2
[M]+ 190.09883142 147.2
[M]- 190.09992858 147.2
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.