CID 106522

Benzeneacetaldehyde, 2,4-dimethyl-

Structural Information

Molecular Formula
C10H12O
SMILES
CC1=CC(=C(C=C1)CC=O)C
InChI
InChI=1S/C10H12O/c1-8-3-4-10(5-6-11)9(2)7-8/h3-4,6-7H,5H2,1-2H3
InChIKey
OVRAXHLRVJRNPG-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

148.08882 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 130.1
[M+Na]+ 171.07804 144.4
[M+NH4]+ 166.12264 139.5
[M+K]+ 187.05198 136.9
[M-H]- 147.08154 133.0
[M+Na-2H]- 169.06349 137.9
[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

No literature data available for this compound.

Patent stripe

patents stripe