CID 86054098

2-{[(tert-butoxy)carbonyl](2,2-dimethoxyethyl)amino}acetic acid

Structural Information

Molecular Formula

C₁₁H₂₁NO₆

SMILES

CC(C)(C)OC(=O)N(CC(OC)OC)CC(=O)O

InChI

InChI=1S/C11H21NO6/c1-11(2,3)18-10(15)12(6-8(13)14)7-9(16-4)17-5/h9H,6-7H2,1-5H3,(H,13,14)

InChIKey

VAZXMIGHZNNHQL-UHFFFAOYSA-N

Compound name

2-[2,2-dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.1369 Da
Monoisotopic Mass: 0.6
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]+	264.144176	159.1
[M+Na]+	286.126118	163.4
[M-H]-	262.129624	159.0
[M+NH4]+	281.170723	175.3
[M+K]+	302.100058	166.2
[M+H-H2O]+	246.134160	153.6
[M+HCOO]-	308.135101	178.7
[M+CH3COO]-	322.150751	199.3
[M+Na-2H]-	284.111566	160.3
[M]+	263.13635142	165.5
[M]-	263.13744858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe