CID 348284

2,6-dimethyl-terephthalamic acid

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CC1=CC(=CC(=C1C(=O)O)C)C(=O)N

InChI

InChI=1S/C10H11NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10(13)14/h3-4H,1-2H3,(H2,11,12)(H,13,14)

InChIKey

GDVBJIJUBPFSPR-UHFFFAOYSA-N

Compound name

4-carbamoyl-2,6-dimethylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 193.0739 Da
Monoisotopic Mass: 1.1
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]+	194.08118	141.0
[M+Na]+	216.06312	151.7
[M+NH4]+	211.10772	147.5
[M+K]+	232.03706	148.0
[M-H]-	192.06662	141.6
[M+Na-2H]-	214.04857	145.0
[M]+	193.07335	142.3
[M]-	193.07445	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe