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 133.2
[M+Na]+ 185.09368 141.8
[M-H]- 161.09718 137.4
[M+NH4]+ 180.13828 154.6
[M+K]+ 201.06762 139.9
[M+H-H2O]+ 145.10172 128.0
[M+HCOO]- 207.10266 156.7
[M+CH3COO]- 221.11831 181.7
[M+Na-2H]- 183.07913 138.0
[M]+ 162.10391 134.8
[M]- 162.10501 134.8
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