CID 74878

2',4',5'-trimethylacetophenone

Structural Information

Molecular Formula
C11H14O
SMILES
CC1=CC(=C(C=C1C)C(=O)C)C
InChI
InChI=1S/C11H14O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6H,1-4H3
InChIKey
GENBEGZNCBFHSU-UHFFFAOYSA-N
Compound name
1-(2,4,5-trimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

162.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 132.0
[M+Na]+ 185.093678 141.5
[M-H]- 161.097184 136.6
[M+NH4]+ 180.138283 153.7
[M+K]+ 201.067618 139.7
[M+H-H2O]+ 145.101720 127.1
[M+HCOO]- 207.102661 155.4
[M+CH3COO]- 221.118311 182.8
[M+Na-2H]- 183.079126 136.1
[M]+ 162.10391142 134.0
[M]- 162.10500858 134.0
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