CID 76453637

Methyl 2-amino-3-(4-fluorophenyl)-2-methylpropanoate hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.10086 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.108136 145.6
[M+Na]+ 234.090078 152.8
[M-H]- 210.093584 147.6
[M+NH4]+ 229.134683 164.1
[M+K]+ 250.064018 150.9
[M+H-H2O]+ 194.098120 139.0
[M+HCOO]- 256.099061 167.0
[M+CH3COO]- 270.114711 189.1
[M+Na-2H]- 232.075526 150.2
[M]+ 211.10031142 144.7
[M]- 211.10140858 144.7
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