CID 16505

1-(2,3-dimethylphenyl)ethanone

Structural Information

Molecular Formula
C10H12O
SMILES
CC1=C(C(=CC=C1)C(=O)C)C
InChI
InChI=1S/C10H12O/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6H,1-3H3
InChIKey
YXJIYJZHAPHBHG-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

148.08882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 130.3
[M+Na]+ 171.07804 144.2
[M+NH4]+ 166.12264 139.6
[M+K]+ 187.05198 137.5
[M-H]- 147.08154 133.0
[M+Na-2H]- 169.06349 137.7
[M]+ 148.08827 133.1
[M]- 148.08937 133.1
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