CID 10262329

Isotryptophan

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)C=C(N2)C[C@@H](C(=O)O)N

InChI

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

InChIKey

KYNMONSTYCGIDJ-VIFPVBQESA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 301
Patents: 204.08987 Da
Monoisotopic Mass: -1.2
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	143.5
[M+Na]+	227.07909	153.7
[M+NH4]+	222.12369	150.5
[M+K]+	243.05303	151.1
[M-H]-	203.08259	143.8
[M+Na-2H]-	225.06454	147.8
[M]+	204.08932	144.6
[M]-	204.09042	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe