CID 75006

2,3,4-trimethoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

10
References

2598
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.