CID 6305

L-tryptophan

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1

InChIKey

QIVBCDIJIAJPQS-VIFPVBQESA-N

Compound name

(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 44557
References: 403001
Patents: 204.08987 Da
Monoisotopic Mass: -1.1
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]+	205.09715	143.4
[M+Na]+	227.07909	151.1
[M-H]-	203.08259	144.0
[M+NH4]+	222.12369	162.0
[M+K]+	243.05303	147.1
[M+H-H2O]+	187.08713	137.2
[M+HCOO]-	249.08807	164.1
[M+CH3COO]-	263.10372	182.5
[M+Na-2H]-	225.06454	147.6
[M]+	204.08932	141.4
[M]-	204.09042	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe