CID 15136874

Methyl 3-fluoro-2-hydroxy-3-methylbutanoate

Structural Information

Molecular Formula

C₆H₁₁FO₃

SMILES

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

InChI

InChI=1S/C6H11FO3/c1-6(2,7)4(8)5(9)10-3/h4,8H,1-3H3

InChIKey

ZYWUCOZGXHCKIK-UHFFFAOYSA-N

Compound name

methyl 3-fluoro-2-hydroxy-3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 150.06923 Da
Monoisotopic Mass: 0.5
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]+	151.07651	129.0
[M+Na]+	173.05845	136.2
[M-H]-	149.06195	127.0
[M+NH4]+	168.10305	149.7
[M+K]+	189.03239	136.8
[M+H-H2O]+	133.06649	124.5
[M+HCOO]-	195.06743	147.7
[M+CH3COO]-	209.08308	173.6
[M+Na-2H]-	171.04390	133.3
[M]+	150.06868	129.0
[M]-	150.06978	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe