CID 2752597

2,3,4-trimethylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

859
Patents

148.08882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 129.7
[M+Na]+ 171.07804 144.3
[M+NH4]+ 166.12264 139.1
[M+K]+ 187.05198 137.0
[M-H]- 147.08154 132.6
[M+Na-2H]- 169.06349 137.2
[M]+ 148.08827 132.7
[M]- 148.08937 132.7
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