CID 23170895

Prolylglutamine

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₄

SMILES

C1CC(NC1)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C10H17N3O4/c11-8(14)4-3-7(10(16)17)13-9(15)6-2-1-5-12-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)

InChIKey

SHAQGFGGJSLLHE-UHFFFAOYSA-N

Compound name

5-amino-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 243.1219 Da
Monoisotopic Mass: -4.9
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]+	244.12918	156.1
[M+Na]+	266.11112	158.4
[M+NH4]+	261.15572	159.1
[M+K]+	282.08506	159.9
[M-H]-	242.11462	152.6
[M+Na-2H]-	264.09657	154.5
[M]+	243.12135	154.3
[M]-	243.12245	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe