CID 409886

Ethyl 2-amino-2-phenylacetate hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
CCOC(=O)C(C1=CC=CC=C1)N
InChI
InChI=1S/C10H13NO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3
InChIKey
VWKGPFHYXWGWEI-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

246
Patents

179.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 139.3
[M+Na]+ 202.08386 150.0
[M+NH4]+ 197.12846 147.1
[M+K]+ 218.05780 144.8
[M-H]- 178.08736 141.1
[M+Na-2H]- 200.06931 145.3
[M]+ 179.09409 141.1
[M]- 179.09519 141.1
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