CID 7019830

113231-05-3

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₆

SMILES

C(CCN)C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C10H18N2O6/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)/t7-/m0/s1

InChIKey

SYFQYGMJENQVQT-ZETCQYMHSA-N

Compound name

(2S)-6-amino-2-[bis(carboxymethyl)amino]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 606
Patents: 262.1165 Da
Monoisotopic Mass: -5.3
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]+	263.12378	159.4
[M+Na]+	285.10572	161.6
[M+NH4]+	280.15032	161.0
[M+K]+	301.07966	162.5
[M-H]-	261.10922	153.8
[M+Na-2H]-	283.09117	156.1
[M]+	262.11595	157.0
[M]-	262.11705	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe