CID 43148170

Methyl 3-amino-2-[(2-fluorophenyl)methyl]propanoate hydrochloride

Structural Information

Molecular Formula
C11H14FNO2
SMILES
COC(=O)C(CC1=CC=CC=C1F)CN
InChI
InChI=1S/C11H14FNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-5,9H,6-7,13H2,1H3
InChIKey
YTOGQBIMZKTOOP-UHFFFAOYSA-N
Compound name
methyl 2-(aminomethyl)-3-(2-fluorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10086 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10814 146.3
[M+Na]+ 234.09008 152.8
[M-H]- 210.09358 148.1
[M+NH4]+ 229.13468 164.5
[M+K]+ 250.06402 150.9
[M+H-H2O]+ 194.09812 139.1
[M+HCOO]- 256.09906 168.2
[M+CH3COO]- 270.11471 189.6
[M+Na-2H]- 232.07553 148.8
[M]+ 211.10031 145.2
[M]- 211.10141 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

No patent data available for this compound.