CID 13204384

Methyl 2-amino-3-fluoro-3-methylbutanoate hydrochloride

Structural Information

Molecular Formula

C₆H₁₂FNO₂

SMILES

CC(C)(C(C(=O)OC)N)F

InChI

InChI=1S/C6H12FNO2/c1-6(2,7)4(8)5(9)10-3/h4H,8H2,1-3H3

InChIKey

GWTQQCIBNYVBMO-UHFFFAOYSA-N

Compound name

methyl 2-amino-3-fluoro-3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 149.0852 Da
Monoisotopic Mass: 0.2
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]+	150.09248	130.5
[M+Na]+	172.07442	137.3
[M-H]-	148.07792	129.3
[M+NH4]+	167.11902	151.4
[M+K]+	188.04836	137.9
[M+H-H2O]+	132.08246	125.4
[M+HCOO]-	194.08340	150.9
[M+CH3COO]-	208.09905	178.3
[M+Na-2H]-	170.05987	134.4
[M]+	149.08465	129.1
[M]-	149.08575	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe