CID 8692

Lisadimate

Structural Information

Molecular Formula

C₁₀H₁₃NO₄

SMILES

C1=CC(=CC=C1C(=O)OCC(CO)O)N

InChI

InChI=1S/C10H13NO4/c11-8-3-1-7(2-4-8)10(14)15-6-9(13)5-12/h1-4,9,12-13H,5-6,11H2

InChIKey

WHQOKFZWSDOTQP-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 14206
Patents: 211.08446 Da
Monoisotopic Mass: 0.2
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]+	212.09174	145.8
[M+Na]+	234.07368	154.6
[M+NH4]+	229.11828	151.6
[M+K]+	250.04762	151.4
[M-H]-	210.07718	145.4
[M+Na-2H]-	232.05913	149.3
[M]+	211.08391	146.4
[M]-	211.08501	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe