CID 23206945

Methyl 2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C11H15NO4
SMILES
COC1=C(C=C(C=C1)CC(C(=O)OC)N)O
InChI
InChI=1S/C11H15NO4/c1-15-10-4-3-7(6-9(10)13)5-8(12)11(14)16-2/h3-4,6,8,13H,5,12H2,1-2H3
InChIKey
AKOBVLCFNXIOQK-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 149.3
[M+Na]+ 248.089328 156.0
[M-H]- 224.092834 151.4
[M+NH4]+ 243.133933 166.4
[M+K]+ 264.063268 155.0
[M+H-H2O]+ 208.097370 143.1
[M+HCOO]- 270.098311 171.2
[M+CH3COO]- 284.113961 189.9
[M+Na-2H]- 246.074776 151.3
[M]+ 225.09956142 150.8
[M]- 225.10065858 150.8
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

No patent data available for this compound.