CID 14409732

Trp-pro

Structural Information

Molecular Formula

C₁₆H₁₉N₃O₃

SMILES

C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)O

InChI

InChI=1S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)

InChIKey

DXYQIGZZWYBXSD-UHFFFAOYSA-N

Compound name

1-[2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 1015
Patents: 301.14264 Da
Monoisotopic Mass: -1.0
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	169.8
[M+Na]+	324.13186	174.9
[M-H]-	300.13536	172.1
[M+NH4]+	319.17646	184.3
[M+K]+	340.10580	170.8
[M+H-H2O]+	284.13990	162.3
[M+HCOO]-	346.14084	186.2
[M+CH3COO]-	360.15649	200.1
[M+Na-2H]-	322.11731	167.6
[M]+	301.14209	166.1
[M]-	301.14319	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe