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

636
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

literature stripe

Patent stripe

patents stripe