CID 2733956

Methyl 3-hydroxy-4,5-dimethoxybenzoate

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=CC(=CC(=C1OC)O)C(=O)OC
InChI
InChI=1S/C10H12O5/c1-13-8-5-6(10(12)15-3)4-7(11)9(8)14-2/h4-5,11H,1-3H3
InChIKey
LCIFXEQPXQVBGL-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-4,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

326
Patents

212.06847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.075746 141.2
[M+Na]+ 235.057688 150.3
[M-H]- 211.061194 144.4
[M+NH4]+ 230.102293 159.9
[M+K]+ 251.031628 150.1
[M+H-H2O]+ 195.065730 135.6
[M+HCOO]- 257.066671 164.3
[M+CH3COO]- 271.082321 184.9
[M+Na-2H]- 233.043136 145.3
[M]+ 212.06792142 146.7
[M]- 212.06901858 146.7
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