CID 413338

Ethyl 2-amino-3-(4-methoxyphenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C12H17NO3
SMILES
CCOC(=O)C(CC1=CC=C(C=C1)OC)N
InChI
InChI=1S/C12H17NO3/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9/h4-7,11H,3,8,13H2,1-2H3
InChIKey
GRDSNVUGGUKPKE-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(4-methoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

223.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.9
[M+Na]+ 246.11007 161.0
[M+NH4]+ 241.15467 157.7
[M+K]+ 262.08401 156.1
[M-H]- 222.11357 152.1
[M+Na-2H]- 244.09552 155.6
[M]+ 223.12030 152.3
[M]- 223.12140 152.3
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

patents stripe