CID 70530537

29227-92-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₆

SMILES

C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C10H14N2O6/c13-7-3-1-5(11-7)9(16)12-6(10(17)18)2-4-8(14)15/h5-6H,1-4H2,(H,11,13)(H,12,16)(H,14,15)(H,17,18)/t5-,6-/m0/s1

InChIKey

YRUFRJRFQFBNQR-WDSKDSINSA-N

Compound name

(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 258.08517 Da
Monoisotopic Mass: -1.5
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]+	259.09245	157.1
[M+Na]+	281.07439	159.9
[M+NH4]+	276.11899	159.0
[M+K]+	297.04833	162.4
[M-H]-	257.07789	151.9
[M+Na-2H]-	279.05984	154.5
[M]+	258.08462	154.8
[M]-	258.08572	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe