CID 69247902

Gamma-l-glutamyl-l-pipecolic acid

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₅

SMILES

C1CCN(C(C1)C(=O)O)C(=O)CCC(C(=O)O)N

InChI

InChI=1S/C11H18N2O5/c12-7(10(15)16)4-5-9(14)13-6-2-1-3-8(13)11(17)18/h7-8H,1-6,12H2,(H,15,16)(H,17,18)

InChIKey

MNEBDCWSYIPUDZ-UHFFFAOYSA-N

Compound name

1-(4-amino-4-carboxybutanoyl)piperidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 258.12158 Da
Monoisotopic Mass: -3.1
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]+	259.12886	158.2
[M+Na]+	281.11080	162.6
[M+NH4]+	276.15540	161.3
[M+K]+	297.08474	162.2
[M-H]-	257.11430	154.8
[M+Na-2H]-	279.09625	156.9
[M]+	258.12103	156.8
[M]-	258.12213	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe