CID 70364

L-tyrosine ethyl ester

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1
InChIKey
SBBWEQLNKVHYCX-JTQLQIEISA-N
Compound name
ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

21
References

2927
Patents

209.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 147.1
[M+Na]+ 232.09442 153.0
[M-H]- 208.09792 148.8
[M+NH4]+ 227.13902 164.6
[M+K]+ 248.06836 151.3
[M+H-H2O]+ 192.10246 140.8
[M+HCOO]- 254.10340 168.8
[M+CH3COO]- 268.11905 186.5
[M+Na-2H]- 230.07987 149.7
[M]+ 209.10465 146.7
[M]- 209.10575 146.7
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