CID 13073467

87764-37-2

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)COC

InChI

InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)

InChIKey

ZRIKZVLHMGYCIR-UHFFFAOYSA-N

Compound name

2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 154
Patents: 265.1314 Da
Monoisotopic Mass: 1.3
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]+	266.138676	160.3
[M+Na]+	288.120618	165.9
[M-H]-	264.124124	164.0
[M+NH4]+	283.165223	176.6
[M+K]+	304.094558	166.0
[M+H-H2O]+	248.128660	153.7
[M+HCOO]-	310.129601	181.5
[M+CH3COO]-	324.145251	203.1
[M+Na-2H]-	286.106066	160.0
[M]+	265.13085142	163.9
[M]-	265.13194858	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe