CID 427174

1135028-80-6

Structural Information

Molecular Formula

C₁₁H₁₄FNO₂

SMILES

CCOC(=O)CNCC1=CC=C(C=C1)F

InChI

InChI=1S/C11H14FNO2/c1-2-15-11(14)8-13-7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3

InChIKey

UESJBBBCMQPVTF-UHFFFAOYSA-N

Compound name

ethyl 2-[(4-fluorophenyl)methylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 211.10086 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.108136	145.3
[M+Na]+	234.090078	152.0
[M-H]-	210.093584	147.4
[M+NH4]+	229.134683	163.8
[M+K]+	250.064018	150.0
[M+H-H2O]+	194.098120	137.9
[M+HCOO]-	256.099061	168.8
[M+CH3COO]-	270.114711	189.4
[M+Na-2H]-	232.075526	150.1
[M]+	211.10031142	145.9
[M]-	211.10140858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe