CID 10214674

Gamma-glutamyltyramine zwitterion

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

1
Patents

266.12665 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 162.1
[M+Na]+ 289.11587 168.7
[M+NH4]+ 284.16047 166.4
[M+K]+ 305.08981 166.0
[M-H]- 265.11937 161.3
[M+Na-2H]- 287.10132 164.0
[M]+ 266.12610 162.1
[M]- 266.12720 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe