CID 735637

303095-00-3

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₄

SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)N2CCOCC2

InChI

InChI=1S/C13H16N2O4/c1-10(16)14-11-2-4-12(5-3-11)19-13(17)15-6-8-18-9-7-15/h2-5H,6-9H2,1H3,(H,14,16)

InChIKey

YBQWOVMEUBPGFM-UHFFFAOYSA-N

Compound name

(4-acetamidophenyl) morpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.111 Da
Monoisotopic Mass: 0.4
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]+	265.11828	159.5
[M+Na]+	287.10022	163.6
[M-H]-	263.10372	164.7
[M+NH4]+	282.14482	172.4
[M+K]+	303.07416	163.4
[M+H-H2O]+	247.10826	150.8
[M+HCOO]-	309.10920	178.0
[M+CH3COO]-	323.12485	195.4
[M+Na-2H]-	285.08567	163.4
[M]+	264.11045	157.6
[M]-	264.11155	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.