CID 2758572

3',5'-dimethyl-4'-methoxyacetophenone

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1=CC(=CC(=C1OC)C)C(=O)C
InChI
InChI=1S/C11H14O2/c1-7-5-10(9(3)12)6-8(2)11(7)13-4/h5-6H,1-4H3
InChIKey
OZNRJDZKCCJUJO-UHFFFAOYSA-N
Compound name
1-(4-methoxy-3,5-dimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

178.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 135.5
[M+Na]+ 201.08860 145.0
[M-H]- 177.09210 140.1
[M+NH4]+ 196.13320 156.6
[M+K]+ 217.06254 143.7
[M+H-H2O]+ 161.09664 130.4
[M+HCOO]- 223.09758 159.2
[M+CH3COO]- 237.11323 184.9
[M+Na-2H]- 199.07405 139.7
[M]+ 178.09883 139.0
[M]- 178.09993 139.0
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.