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: 168
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]+	172.09682	138.1
[M+Na]+	194.07876	147.4
[M+NH4]+	189.12336	144.6
[M+K]+	210.05270	143.1
[M-H]-	170.08226	138.6
[M+Na-2H]-	192.06421	140.8
[M]+	171.08899	139.1
[M]-	171.09009	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe