CID 137942976

2287299-45-8

Structural Information

Molecular Formula

C₇H₁₄FNO₂

SMILES

CCOC(=O)C(C(C)CN)F

InChI

InChI=1S/C7H14FNO2/c1-3-11-7(10)6(8)5(2)4-9/h5-6H,3-4,9H2,1-2H3

InChIKey

CDULOMJZUNOARO-UHFFFAOYSA-N

Compound name

ethyl 4-amino-2-fluoro-3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.10086 Da
Monoisotopic Mass: 0.7
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]+	164.10814	136.6
[M+Na]+	186.09008	142.2
[M-H]-	162.09358	134.9
[M+NH4]+	181.13468	156.6
[M+K]+	202.06402	142.6
[M+H-H2O]+	146.09812	130.5
[M+HCOO]-	208.09906	157.1
[M+CH3COO]-	222.11471	182.0
[M+Na-2H]-	184.07553	137.8
[M]+	163.10031	135.3
[M]-	163.10141	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.