CID 75075

Methyl 2,3-dimethoxybenzoate

Structural Information

Molecular Formula
C10H12O4
SMILES
COC1=CC=CC(=C1OC)C(=O)OC
InChI
InChI=1S/C10H12O4/c1-12-8-6-4-5-7(9(8)13-2)10(11)14-3/h4-6H,1-3H3
InChIKey
MGLIMPUPAKQITQ-UHFFFAOYSA-N
Compound name
methyl 2,3-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

74
Patents

196.07356 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 139.8
[M+Na]+ 219.06278 152.2
[M+NH4]+ 214.10738 147.2
[M+K]+ 235.03672 147.1
[M-H]- 195.06628 140.8
[M+Na-2H]- 217.04823 145.7
[M]+ 196.07301 141.7
[M]- 196.07411 141.7
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