CID 131752421

(2s,2's)-pyrosaccharopine

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₅

SMILES

C1CC(=O)N(C1C(=O)O)CCCCC(C(=O)O)N

InChI

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

InChIKey

KZGLERZNBKMMPP-UHFFFAOYSA-N

Compound name

1-(5-amino-5-carboxypentyl)-5-oxopyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
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]+	259.128856	158.6
[M+Na]+	281.110798	162.6
[M-H]-	257.114304	157.0
[M+NH4]+	276.155403	173.4
[M+K]+	297.084738	161.1
[M+H-H2O]+	241.118840	152.1
[M+HCOO]-	303.119781	174.9
[M+CH3COO]-	317.135431	193.3
[M+Na-2H]-	279.096246	155.2
[M]+	258.12103142	155.8
[M]-	258.12212858	155.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.