CID 251691

2,4-dimethoxy-6-methylbenzaldehyde

Structural Information

Molecular Formula
C10H12O3
SMILES
CC1=CC(=CC(=C1C=O)OC)OC
InChI
InChI=1S/C10H12O3/c1-7-4-8(12-2)5-10(13-3)9(7)6-11/h4-6H,1-3H3
InChIKey
RTRFTGJNWSOWPO-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-6-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

180.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.1
[M+Na]+ 203.06786 149.8
[M+NH4]+ 198.11246 144.3
[M+K]+ 219.04180 143.5
[M-H]- 179.07136 138.0
[M+Na-2H]- 201.05331 142.6
[M]+ 180.07809 138.6
[M]- 180.07919 138.6
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