CID 12936636

1-(3,5-dimethylphenyl)propan-2-one

Structural Information

Molecular Formula
C11H14O
SMILES
CC1=CC(=CC(=C1)CC(=O)C)C
InChI
InChI=1S/C11H14O/c1-8-4-9(2)6-11(5-8)7-10(3)12/h4-6H,7H2,1-3H3
InChIKey
SQEPTUPSJXFZIF-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

162.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 134.9
[M+Na]+ 185.09368 148.6
[M+NH4]+ 180.13828 144.0
[M+K]+ 201.06762 141.6
[M-H]- 161.09718 137.5
[M+Na-2H]- 183.07913 142.0
[M]+ 162.10391 137.6
[M]- 162.10501 137.6
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

patents stripe