CID 92181

Glycyl-l-tryptophan

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₃

SMILES

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

InChI

InChI=1S/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19)/t11-/m0/s1

InChIKey

AJHCSUXXECOXOY-NSHDSACASA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 27
References: 49228
Patents: 261.11133 Da
Monoisotopic Mass: -2.6
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]+	262.11861	157.7
[M+Na]+	284.10055	163.4
[M-H]-	260.10405	158.0
[M+NH4]+	279.14515	173.3
[M+K]+	300.07449	159.8
[M+H-H2O]+	244.10859	150.6
[M+HCOO]-	306.10953	178.1
[M+CH3COO]-	320.12518	195.5
[M+Na-2H]-	282.08600	160.3
[M]+	261.11078	155.7
[M]-	261.11188	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe