CID 16522

Methyl 3,4-dimethoxybenzoate

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(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3
InChIKey
BIGQPYZPEWAPBG-UHFFFAOYSA-N
Compound name
methyl 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

674
Patents

196.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 138.5
[M+Na]+ 219.06278 147.3
[M-H]- 195.06628 142.8
[M+NH4]+ 214.10738 158.3
[M+K]+ 235.03672 147.3
[M+H-H2O]+ 179.07082 132.7
[M+HCOO]- 241.07176 162.9
[M+CH3COO]- 255.08741 184.1
[M+Na-2H]- 217.04823 143.7
[M]+ 196.07301 144.0
[M]- 196.07411 144.0
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.