CID 11138

Trimesic acid

Structural Information

Molecular Formula

C₉H₆O₆

SMILES

C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)

InChIKey

QMKYBPDZANOJGF-UHFFFAOYSA-N

Compound name

benzene-1,3,5-tricarboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 297
References: 77995
Patents: 210.01643 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	211.02371	138.2
[M+Na]+	233.00565	145.7
[M-H]-	209.00915	138.4
[M+NH4]+	228.05025	154.5
[M+K]+	248.97959	144.3
[M+H-H2O]+	193.01369	133.0
[M+HCOO]-	255.01463	157.1
[M+CH3COO]-	269.03028	179.1
[M+Na-2H]-	230.99110	140.0
[M]+	210.01588	137.9
[M]-	210.01698	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe