CID 10130637

Hydroxyprolyl-serine

Structural Information

Molecular Formula

C₈H₁₄N₂O₅

SMILES

C1C(CNC1C(=O)NC(CO)C(=O)O)O

InChI

InChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)

InChIKey

UVSBYUFDCGZIMR-UHFFFAOYSA-N

Compound name

3-hydroxy-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 218.09027 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]+	219.09755	148.1
[M+Na]+	241.07949	151.5
[M+NH4]+	236.12409	151.2
[M+K]+	257.05343	153.5
[M-H]-	217.08299	143.6
[M+Na-2H]-	239.06494	146.2
[M]+	218.08972	146.2
[M]-	218.09082	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe