CID 5272179

2-oxo-2-(2,3,5,6-tetramethylphenyl)acetaldehyde

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1=CC(=C(C(=C1C)C(=O)C=O)C)C
InChI
InChI=1S/C12H14O2/c1-7-5-8(2)10(4)12(9(7)3)11(14)6-13/h5-6H,1-4H3
InChIKey
UHEDZSIAJVKXRW-UHFFFAOYSA-N
Compound name
2-oxo-2-(2,3,5,6-tetramethylphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 137.3
[M+Na]+ 213.08860 147.6
[M-H]- 189.09210 142.1
[M+NH4]+ 208.13320 158.1
[M+K]+ 229.06254 145.5
[M+H-H2O]+ 173.09664 132.4
[M+HCOO]- 235.09758 160.8
[M+CH3COO]- 249.11323 188.2
[M+Na-2H]- 211.07405 140.3
[M]+ 190.09883 140.9
[M]- 190.09993 140.9
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

No patent data available for this compound.