CID 73667479

Ns00040859

Structural Information

Molecular Formula

C₈H₁₃NO₄

SMILES

CCOC(=O)C=C(C)NCC(=O)O

InChI

InChI=1S/C8H13NO4/c1-3-13-8(12)4-6(2)9-5-7(10)11/h4,9H,3,5H2,1-2H3,(H,10,11)

InChIKey

DKYWFRSRSQGVRL-UHFFFAOYSA-N

Compound name

2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 187.08446 Da
Monoisotopic Mass: 1.2
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]+	188.091736	141.3
[M+Na]+	210.073678	146.5
[M-H]-	186.077184	140.0
[M+NH4]+	205.118283	159.7
[M+K]+	226.047618	146.4
[M+H-H2O]+	170.081720	135.9
[M+HCOO]-	232.082661	162.5
[M+CH3COO]-	246.098311	182.1
[M+Na-2H]-	208.059126	143.2
[M]+	187.08391142	142.1
[M]-	187.08500858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.