CID 68441

2,4,6-trimethoxybenzoic acid

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)O)OC
InChI
InChI=1S/C10H12O5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H,11,12)
InChIKey
JATAKEDDMQNPOQ-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

379
Patents

212.06847 Da
Monoisotopic Mass

0.6
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