CID 10214674

Gamma-glutamyltyramine

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₄

SMILES

C1=CC(=CC=C1CCNC(=O)CC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C13H18N2O4/c14-11(13(18)19)5-6-12(17)15-8-7-9-1-3-10(16)4-2-9/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)/t11-/m0/s1

InChIKey

ICIIWGMCNMZIQX-NSHDSACASA-N

Compound name

(2S)-2-amino-5-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2
Patents: 266.12665 Da
Monoisotopic Mass: -2.2
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]+	267.133926	161.8
[M+Na]+	289.115868	165.2
[M-H]-	265.119374	161.6
[M+NH4]+	284.160473	175.5
[M+K]+	305.089808	162.9
[M+H-H2O]+	249.123910	154.7
[M+HCOO]-	311.124851	181.6
[M+CH3COO]-	325.140501	197.9
[M+Na-2H]-	287.101316	161.9
[M]+	266.12610142	159.4
[M]-	266.12719858	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe