CID 10276

2,4,5-trimethoxybenzoic acid

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=CC(=C(C=C1C(=O)O)OC)OC
InChI
InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChIKey
KVZUCOGWKYOPID-UHFFFAOYSA-N
Compound name
2,4,5-trimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

1196
Patents

212.06847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 141.0
[M+Na]+ 235.05769 150.0
[M-H]- 211.06119 144.1
[M+NH4]+ 230.10229 159.6
[M+K]+ 251.03163 149.8
[M+H-H2O]+ 195.06573 135.4
[M+HCOO]- 257.06667 164.0
[M+CH3COO]- 271.08232 185.6
[M+Na-2H]- 233.04314 145.1
[M]+ 212.06792 146.5
[M]- 212.06902 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