CID 81996

Ethyl l-tryptophanate

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3/t11-/m0/s1
InChIKey
DABYEOZXRSTEGL-NSHDSACASA-N
Compound name
ethyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

542
Patents

232.12119 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.4
[M+Na]+ 255.11041 162.8
[M+NH4]+ 250.15501 159.4
[M+K]+ 271.08435 159.3
[M-H]- 231.11391 153.1
[M+Na-2H]- 253.09586 156.7
[M]+ 232.12064 153.7
[M]- 232.12174 153.7
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