CID 155820057

2385762-57-0

Structural Information

Molecular Formula

C₁₃H₂₃NO₅

SMILES

CC1(CN(C(CO1)CC(=O)O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-8-13(4,5)18-7-9(14)6-10(15)16/h9H,6-8H2,1-5H3,(H,15,16)

InChIKey

DEUUVDYJDPFEHX-UHFFFAOYSA-N

Compound name

2-[6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.15762 Da
Monoisotopic Mass: 0.9
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]+	274.164896	161.3
[M+Na]+	296.146838	166.9
[M-H]-	272.150344	162.5
[M+NH4]+	291.191443	176.6
[M+K]+	312.120778	168.1
[M+H-H2O]+	256.154880	156.5
[M+HCOO]-	318.155821	174.5
[M+CH3COO]-	332.171471	195.4
[M+Na-2H]-	294.132286	164.1
[M]+	273.15707142	162.9
[M]-	273.15816858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.