CID 18218236

Proline serine dipeptide

Structural Information

Molecular Formula

C₈H₁₄N₂O₄

SMILES

C1CC(NC1)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)

InChIKey

AFWBWPCXSWUCLB-UHFFFAOYSA-N

Compound name

3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 202.09535 Da
Monoisotopic Mass: -4.8
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]+	203.102626	145.5
[M+Na]+	225.084568	148.4
[M-H]-	201.088074	142.8
[M+NH4]+	220.129173	161.7
[M+K]+	241.058508	147.1
[M+H-H2O]+	185.092610	139.1
[M+HCOO]-	247.093551	161.5
[M+CH3COO]-	261.109201	177.8
[M+Na-2H]-	223.070016	145.2
[M]+	202.09480142	139.1
[M]-	202.09589858	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe