CID 6474831

Noname_1016

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

C1=CC=C(C=C1)CONC(=O)/C=C/C(=O)O

InChI

InChI=1S/C11H11NO4/c13-10(6-7-11(14)15)12-16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+

InChIKey

JFUGHCIHXPQYTE-VOTSOKGWSA-N

Compound name

(E)-4-oxo-4-(phenylmethoxyamino)but-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 221.0688 Da
Monoisotopic Mass: 0.8
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]+	222.07608	147.2
[M+Na]+	244.05802	152.7
[M-H]-	220.06152	149.1
[M+NH4]+	239.10262	164.0
[M+K]+	260.03196	150.6
[M+H-H2O]+	204.06606	140.6
[M+HCOO]-	266.06700	170.1
[M+CH3COO]-	280.08265	185.7
[M+Na-2H]-	242.04347	151.7
[M]+	221.06825	147.3
[M]-	221.06935	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe