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]+	212.10814	146.7
[M+Na]+	234.09008	157.1
[M+NH4]+	229.13468	153.6
[M+K]+	250.06402	150.9
[M-H]-	210.09358	147.2
[M+Na-2H]-	232.07553	152.1
[M]+	211.10031	148.0
[M]-	211.10141	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe