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

2248
Patents

196.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 137.3
[M+Na]+ 219.062778 147.2
[M-H]- 195.066284 141.9
[M+NH4]+ 214.107383 157.4
[M+K]+ 235.036718 146.7
[M+H-H2O]+ 179.070820 131.6
[M+HCOO]- 241.071761 162.7
[M+CH3COO]- 255.087411 185.1
[M+Na-2H]- 217.048226 143.1
[M]+ 196.07301142 143.9
[M]- 196.07410858 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