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

1375
Patents

225.10011 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 149.1
[M+Na]+ 248.089328 155.6
[M-H]- 224.092834 151.1
[M+NH4]+ 243.133933 166.1
[M+K]+ 264.063268 154.6
[M+H-H2O]+ 208.097370 142.8
[M+HCOO]- 270.098311 170.9
[M+CH3COO]- 284.113961 190.6
[M+Na-2H]- 246.074776 151.0
[M]+ 225.09956142 150.6
[M]- 225.10065858 150.6
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