CID 8357

3,4,5-trimethoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

72
References

4455
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 141.0
[M+Na]+ 235.057688 150.0
[M-H]- 211.061194 144.1
[M+NH4]+ 230.102293 159.6
[M+K]+ 251.031628 149.8
[M+H-H2O]+ 195.065730 135.4
[M+HCOO]- 257.066671 164.0
[M+CH3COO]- 271.082321 185.6
[M+Na-2H]- 233.043136 145.1
[M]+ 212.06792142 146.5
[M]- 212.06901858 146.5
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