CID 19437364

2580199-82-0

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

C1OC2=C(O1)C=C(C=C2)CNCC(=O)O

InChI

InChI=1S/C10H11NO4/c12-10(13)5-11-4-7-1-2-8-9(3-7)15-6-14-8/h1-3,11H,4-6H2,(H,12,13)

InChIKey

SRVRHTQVWWJDGA-UHFFFAOYSA-N

Compound name

2-(1,3-benzodioxol-5-ylmethylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 209.0688 Da
Monoisotopic Mass: -1.4
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]+	210.07608	143.5
[M+Na]+	232.05802	153.3
[M+NH4]+	227.10262	150.6
[M+K]+	248.03196	151.3
[M-H]-	208.06152	146.7
[M+Na-2H]-	230.04347	146.2
[M]+	209.06825	145.5
[M]-	209.06935	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe