CID 221611

N-(3,4,5-trimethoxybenzoyl)glycine

Structural Information

Molecular Formula

C₁₂H₁₅NO₆

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)O

InChI

InChI=1S/C12H15NO6/c1-17-8-4-7(12(16)13-6-10(14)15)5-9(18-2)11(8)19-3/h4-5H,6H2,1-3H3,(H,13,16)(H,14,15)

InChIKey

LPQDWMLZTWHXOE-UHFFFAOYSA-N

Compound name

2-[(3,4,5-trimethoxybenzoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9
Patents: 269.08994 Da
Monoisotopic Mass: 0.7
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]+	270.097216	156.2
[M+Na]+	292.079158	163.2
[M-H]-	268.082664	158.9
[M+NH4]+	287.123763	171.7
[M+K]+	308.053098	163.1
[M+H-H2O]+	252.087200	149.4
[M+HCOO]-	314.088141	178.9
[M+CH3COO]-	328.103791	198.4
[M+Na-2H]-	290.064606	158.3
[M]+	269.08939142	161.6
[M]-	269.09048858	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe