CID 13456437

Dtxsid901022026

Structural Information

Molecular Formula

C₁₅H₁₉NO₅

SMILES

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

InChI

InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)

InChIKey

IRTDHGMDHHAJIE-UHFFFAOYSA-N

Compound name

3-(N-(1-methoxy-1-oxopropan-2-yl)-2,6-dimethylanilino)-3-oxopropanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 0
Patents: 293.1263 Da
Monoisotopic Mass: 1.5
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]+	294.133576	165.8
[M+Na]+	316.115518	171.0
[M-H]-	292.119024	169.4
[M+NH4]+	311.160123	180.7
[M+K]+	332.089458	171.4
[M+H-H2O]+	276.123560	159.0
[M+HCOO]-	338.124501	186.1
[M+CH3COO]-	352.140151	207.7
[M+Na-2H]-	314.100966	164.0
[M]+	293.12575142	169.8
[M]-	293.12684858	169.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.