CID 5227530

Ethyl 2-amino-3-(3-fluorophenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C11H14FNO2
SMILES
CCOC(=O)C(CC1=CC(=CC=C1)F)N
InChI
InChI=1S/C11H14FNO2/c1-2-15-11(14)10(13)7-8-4-3-5-9(12)6-8/h3-6,10H,2,7,13H2,1H3
InChIKey
GUJHMYPTDMVWHD-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(3-fluorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

211.10086 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.108136 146.3
[M+Na]+ 234.090078 152.8
[M-H]- 210.093584 148.1
[M+NH4]+ 229.134683 164.5
[M+K]+ 250.064018 150.9
[M+H-H2O]+ 194.098120 139.1
[M+HCOO]- 256.099061 168.2
[M+CH3COO]- 270.114711 189.6
[M+Na-2H]- 232.075526 148.8
[M]+ 211.10031142 145.2
[M]- 211.10140858 145.2
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

patents stripe