CID 64141036

Methyl 2-amino-3-(3-phenoxyphenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C16H17NO3
SMILES
COC(=O)C(CC1=CC(=CC=C1)OC2=CC=CC=C2)N
InChI
InChI=1S/C16H17NO3/c1-19-16(18)15(17)11-12-6-5-9-14(10-12)20-13-7-3-2-4-8-13/h2-10,15H,11,17H2,1H3
InChIKey
GHSAYSKCPCECOR-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(3-phenoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 163.0
[M+Na]+ 294.11007 168.3
[M-H]- 270.11357 168.9
[M+NH4]+ 289.15467 178.1
[M+K]+ 310.08401 165.7
[M+H-H2O]+ 254.11811 154.7
[M+HCOO]- 316.11905 185.9
[M+CH3COO]- 330.13470 199.8
[M+Na-2H]- 292.09552 166.1
[M]+ 271.12030 163.6
[M]- 271.12140 163.6
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.