CID 22466617

1419865-05-6

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

C1COCCN1C/C=C/C(=O)O

InChI

InChI=1S/C8H13NO3/c10-8(11)2-1-3-9-4-6-12-7-5-9/h1-2H,3-7H2,(H,10,11)/b2-1+

InChIKey

LQFDQJDIWFMWHN-OWOJBTEDSA-N

Compound name

(E)-4-morpholin-4-ylbut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 171.08954 Da
Monoisotopic Mass: -2.6
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]+	172.096816	137.3
[M+Na]+	194.078758	142.0
[M-H]-	170.082264	137.8
[M+NH4]+	189.123363	153.9
[M+K]+	210.052698	141.7
[M+H-H2O]+	154.086800	130.9
[M+HCOO]-	216.087741	154.2
[M+CH3COO]-	230.103391	173.9
[M+Na-2H]-	192.064206	142.3
[M]+	171.08899142	134.0
[M]-	171.09008858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe