CID 439283

14289-34-0

Structural Information

Molecular Formula

C₇H₁₄N₂O₄

SMILES

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

InChI

InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1

InChIKey

GMKMEZVLHJARHF-WHFBIAKZSA-N

Compound name

(2S,6S)-2,6-diaminoheptanedioic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2053
References: 19338
Patents: 190.09535 Da
Monoisotopic Mass: -5.9
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]+	191.10263	143.2
[M+Na]+	213.08457	146.8
[M-H]-	189.08807	139.4
[M+NH4]+	208.12917	159.6
[M+K]+	229.05851	146.6
[M+H-H2O]+	173.09261	137.4
[M+HCOO]-	235.09355	161.7
[M+CH3COO]-	249.10920	184.1
[M+Na-2H]-	211.07002	141.7
[M]+	190.09480	138.9
[M]-	190.09590	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe