CID 146081937

2386916-52-3

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]+ 191.10666 137.6
[M+Na]+ 213.08860 144.1
[M-H]- 189.09210 145.2
[M+NH4]+ 208.13320 151.5
[M+K]+ 229.06254 146.7
[M+H-H2O]+ 173.09664 127.5
[M+HCOO]- 235.09758 158.3
[M+CH3COO]- 249.11323 186.5
[M+Na-2H]- 211.07405 144.2
[M]+ 190.09883 147.2
[M]- 190.09993 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.