CID 170345

Etilevodopa

Structural Information

Molecular Formula
C11H15NO4
SMILES
CCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N
InChI
InChI=1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1
InChIKey
NULMGOSOSZBEQL-QMMMGPOBSA-N
Compound name
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1165
Patents

225.10011 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 150.0
[M+Na]+ 248.08933 159.0
[M+NH4]+ 243.13393 155.6
[M+K]+ 264.06327 155.8
[M-H]- 224.09283 149.6
[M+Na-2H]- 246.07478 153.0
[M]+ 225.09956 150.7
[M]- 225.10066 150.7
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