CID 27362

Mobecarb

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

C1COCCN1CC(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17NO4/c16-13(12-4-2-1-3-5-12)11-19-14(17)10-15-6-8-18-9-7-15/h1-5H,6-11H2

InChIKey

WIELTBTVQBNULW-UHFFFAOYSA-N

Compound name

phenacyl 2-morpholin-4-ylacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 36
Patents: 263.11575 Da
Monoisotopic Mass: 1.2
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]+	264.123026	159.5
[M+Na]+	286.104968	162.9
[M-H]-	262.108474	164.1
[M+NH4]+	281.149573	172.3
[M+K]+	302.078908	162.5
[M+H-H2O]+	246.113010	150.7
[M+HCOO]-	308.113951	176.6
[M+CH3COO]-	322.129601	193.4
[M+Na-2H]-	284.090416	163.1
[M]+	263.11520142	158.4
[M]-	263.11629858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe