CID 89683

2,3,4-trimethoxy-6-methylbenzaldehyde

Structural Information

Molecular Formula
C11H14O4
SMILES
CC1=CC(=C(C(=C1C=O)OC)OC)OC
InChI
InChI=1S/C11H14O4/c1-7-5-9(13-2)11(15-4)10(14-3)8(7)6-12/h5-6H,1-4H3
InChIKey
OMDNFMOQYYDECR-UHFFFAOYSA-N
Compound name
2,3,4-trimethoxy-6-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

304
Patents

210.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 141.1
[M+Na]+ 233.07842 151.5
[M-H]- 209.08192 145.9
[M+NH4]+ 228.12302 161.0
[M+K]+ 249.05236 150.8
[M+H-H2O]+ 193.08646 135.5
[M+HCOO]- 255.08740 166.1
[M+CH3COO]- 269.10305 189.4
[M+Na-2H]- 231.06387 145.7
[M]+ 210.08865 148.5
[M]- 210.08975 148.5
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