CID 9834393

2-[[2-(boc-amino)ethyl]amino]acetic acid

Structural Information

Molecular Formula

C₉H₁₈N₂O₄

SMILES

CC(C)(C)OC(=O)NCCNCC(=O)O

InChI

InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-5-4-10-6-7(12)13/h10H,4-6H2,1-3H3,(H,11,14)(H,12,13)

InChIKey

LZQSLXNZORCPAR-UHFFFAOYSA-N

Compound name

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 122
Patents: 218.12666 Da
Monoisotopic Mass: -2.2
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]+	219.13394	150.1
[M+Na]+	241.11588	155.2
[M+NH4]+	236.16048	154.2
[M+K]+	257.08982	153.5
[M-H]-	217.11938	146.8
[M+Na-2H]-	239.10133	150.3
[M]+	218.12611	149.2
[M]-	218.12721	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe