CID 194695

(s)-2-amino-6-oxopimelate

Structural Information

Molecular Formula

C₇H₁₁NO₅

SMILES

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

InChI

InChI=1S/C7H11NO5/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4H,1-3,8H2,(H,10,11)(H,12,13)/t4-/m0/s1

InChIKey

UKCSFKLWNHUBDY-BYPYZUCNSA-N

Compound name

(2S)-2-amino-6-oxoheptanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 95
Patents: 189.06372 Da
Monoisotopic Mass: -3.3
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]+	190.07100	140.6
[M+Na]+	212.05294	145.6
[M+NH4]+	207.09754	144.1
[M+K]+	228.02688	145.4
[M-H]-	188.05644	135.8
[M+Na-2H]-	210.03839	139.2
[M]+	189.06317	139.0
[M]-	189.06427	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe