CID 10632946

32161-30-1

Structural Information

Molecular Formula
C11H15NO4
SMILES
COC1=C(C=C(C=C1)C[C@@H](C(=O)O)N)OC
InChI
InChI=1S/C11H15NO4/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8H,5,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKey
VWTFNYVAFGYEKI-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-(3,4-dimethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1360
Patents

225.10011 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 149.3
[M+Na]+ 248.08933 158.9
[M+NH4]+ 243.13393 155.3
[M+K]+ 264.06327 155.4
[M-H]- 224.09283 149.5
[M+Na-2H]- 246.07478 153.0
[M]+ 225.09956 150.4
[M]- 225.10066 150.4
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