CID 5364184

54696-41-2

Structural Information

Molecular Formula

C₁₄H₁₅NO₅

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2CN(C)CC(=O)O)O

InChI

InChI=1S/C14H15NO5/c1-8-5-13(19)20-14-9(8)3-4-11(16)10(14)6-15(2)7-12(17)18/h3-5,16H,6-7H2,1-2H3,(H,17,18)

InChIKey

MGGUJKYUDQUTSV-UHFFFAOYSA-N

Compound name

2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-methylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 277.09503 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]+	278.102306	159.3
[M+Na]+	300.084248	167.9
[M-H]-	276.087754	164.0
[M+NH4]+	295.128853	174.5
[M+K]+	316.058188	167.1
[M+H-H2O]+	260.092290	152.6
[M+HCOO]-	322.093231	179.9
[M+CH3COO]-	336.108881	202.2
[M+Na-2H]-	298.069696	163.7
[M]+	277.09448142	164.0
[M]-	277.09557858	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe