CID 6149603

Methyl (e)-3-morpholinoacrylate

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

COC(=O)/C=C/N1CCOCC1

InChI

InChI=1S/C8H13NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-3H,4-7H2,1H3/b3-2+

InChIKey

XFGDIQBAFODGRV-NSCUHMNNSA-N

Compound name

methyl (E)-3-morpholin-4-ylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 171.08954 Da
Monoisotopic Mass: 0.1
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	136.7
[M+Na]+	194.07876	141.9
[M-H]-	170.08226	138.6
[M+NH4]+	189.12336	154.0
[M+K]+	210.05270	142.6
[M+H-H2O]+	154.08680	130.0
[M+HCOO]-	216.08774	155.1
[M+CH3COO]-	230.10339	175.9
[M+Na-2H]-	192.06421	142.2
[M]+	171.08899	135.2
[M]-	171.09009	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe