CID 18218238

Pro-trp-oh

Structural Information

Molecular Formula

C₁₆H₁₉N₃O₃

SMILES

C1CC(NC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H19N3O3/c20-15(13-6-3-7-17-13)19-14(16(21)22)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17-18H,3,6-8H2,(H,19,20)(H,21,22)

InChIKey

UEKYKRQIAQHOOZ-UHFFFAOYSA-N

Compound name

3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 301.14264 Da
Monoisotopic Mass: -1.6
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]+	302.14992	169.7
[M+Na]+	324.13186	176.6
[M+NH4]+	319.17646	174.6
[M+K]+	340.10580	177.0
[M-H]-	300.13536	169.3
[M+Na-2H]-	322.11731	171.9
[M]+	301.14209	169.8
[M]-	301.14319	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe