CID 70019

2,4,6-trimethoxybenzaldehyde

Structural Information

Molecular Formula
C10H12O4
SMILES
COC1=CC(=C(C(=C1)OC)C=O)OC
InChI
InChI=1S/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3
InChIKey
CRBZVDLXAIFERF-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

2240
Patents

196.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 137.3
[M+Na]+ 219.06278 147.2
[M-H]- 195.06628 141.9
[M+NH4]+ 214.10738 157.4
[M+K]+ 235.03672 146.7
[M+H-H2O]+ 179.07082 131.6
[M+HCOO]- 241.07176 162.7
[M+CH3COO]- 255.08741 185.1
[M+Na-2H]- 217.04823 143.1
[M]+ 196.07301 143.9
[M]- 196.07411 143.9
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

patents stripe