CID 10130216

Methyl 2-amino-2-phenylpropanoate hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
C[C@](C1=CC=CC=C1)(C(=O)OC)N
InChI
InChI=1S/C10H13NO2/c1-10(11,9(12)13-2)8-6-4-3-5-7-8/h3-7H,11H2,1-2H3/t10-/m0/s1
InChIKey
MPSVDCFUZLGFKX-JTQLQIEISA-N
Compound name
methyl (2S)-2-amino-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

179.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.7
[M+Na]+ 202.08386 145.3
[M-H]- 178.08736 141.9
[M+NH4]+ 197.12846 158.2
[M+K]+ 218.05780 144.1
[M+H-H2O]+ 162.09190 133.1
[M+HCOO]- 224.09284 161.5
[M+CH3COO]- 238.10849 182.1
[M+Na-2H]- 200.06931 145.1
[M]+ 179.09409 138.2
[M]- 179.09519 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.