CID 38853

Methyldopa

Structural Information

Molecular Formula
C10H13NO4
SMILES
C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N
InChI
InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1
InChIKey
CJCSPKMFHVPWAR-JTQLQIEISA-N
Compound name
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3970
References

33389
Patents

211.08446 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 145.1
[M+Na]+ 234.07368 153.8
[M+NH4]+ 229.11828 150.5
[M+K]+ 250.04762 151.7
[M-H]- 210.07718 143.9
[M+Na-2H]- 232.05913 148.1
[M]+ 211.08391 145.6
[M]- 211.08501 145.6
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