CID 4319362

347890-34-0

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₄

SMILES

CCOC(=O)CNCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C11H22N2O4/c1-5-16-9(14)8-12-6-7-13-10(15)17-11(2,3)4/h12H,5-8H2,1-4H3,(H,13,15)

InChIKey

WVFXXOLKYIPCAX-UHFFFAOYSA-N

Compound name

ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 215
Patents: 246.15796 Da
Monoisotopic Mass: 0.8
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]+	247.16524	159.2
[M+Na]+	269.14718	163.2
[M-H]-	245.15068	159.0
[M+NH4]+	264.19178	176.1
[M+K]+	285.12112	163.9
[M+H-H2O]+	229.15522	153.2
[M+HCOO]-	291.15616	181.3
[M+CH3COO]-	305.17181	197.7
[M+Na-2H]-	267.13263	162.5
[M]+	246.15741	163.0
[M]-	246.15851	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe