CID 580124

Ethyl 3-amino-3-(4-fluorophenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C11H14FNO2
SMILES
CCOC(=O)CC(C1=CC=C(C=C1)F)N
InChI
InChI=1S/C11H14FNO2/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3
InChIKey
SIHVBHFOAHJMHU-UHFFFAOYSA-N
Compound name
ethyl 3-amino-3-(4-fluorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

211.10086 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10814 146.9
[M+Na]+ 234.09008 156.6
[M+NH4]+ 229.13468 153.6
[M+K]+ 250.06402 151.5
[M-H]- 210.09358 147.0
[M+Na-2H]- 232.07553 151.5
[M]+ 211.10031 147.9
[M]- 211.10141 147.9
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