CID 7021804

Methyl (2s)-2-(methylamino)-3-phenylpropanoate hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CN[C@@H](CC1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C11H15NO2/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3/t10-/m0/s1
InChIKey
VJXKYPIBDBDIJL-JTQLQIEISA-N
Compound name
methyl (2S)-2-(methylamino)-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

193.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.6
[M+Na]+ 216.09950 149.0
[M-H]- 192.10300 146.9
[M+NH4]+ 211.14410 162.6
[M+K]+ 232.07344 148.0
[M+H-H2O]+ 176.10754 137.1
[M+HCOO]- 238.10848 167.2
[M+CH3COO]- 252.12413 186.4
[M+Na-2H]- 214.08495 148.5
[M]+ 193.10973 144.3
[M]- 193.11083 144.3
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