CID 97052

Schembl27149740

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₄

SMILES

CC(C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CN

InChI

InChI=1S/C10H17N3O4/c1-6(10(16)17)12-9(15)7-3-2-4-13(7)8(14)5-11/h6-7H,2-5,11H2,1H3,(H,12,15)(H,16,17)/t6?,7-/m0/s1

InChIKey

GGLIDLCEPDHEJO-MLWJPKLSSA-N

Compound name

2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 243.1219 Da
Monoisotopic Mass: -4.6
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]+	244.129176	155.9
[M+Na]+	266.111118	159.0
[M-H]-	242.114624	155.8
[M+NH4]+	261.155723	171.6
[M+K]+	282.085058	158.7
[M+H-H2O]+	226.119160	148.9
[M+HCOO]-	288.120101	174.0
[M+CH3COO]-	302.135751	194.1
[M+Na-2H]-	264.096566	153.3
[M]+	243.12135142	151.3
[M]-	243.12244858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe