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

34
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

literature stripe

Patent stripe

patents stripe