CID 9794178

Dl-alpha-difluoromethyllysine

Structural Information

Molecular Formula

C₇H₁₄F₂N₂O₂

SMILES

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

InChI

InChI=1S/C7H14F2N2O2/c8-5(9)7(11,6(12)13)3-1-2-4-10/h5H,1-4,10-11H2,(H,12,13)

InChIKey

WNICGTIQUHHISW-UHFFFAOYSA-N

Compound name

2,6-diamino-2-(difluoromethyl)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 96
Patents: 196.10234 Da
Monoisotopic Mass: -2.6
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]+	197.10962	141.8
[M+Na]+	219.09156	146.7
[M-H]-	195.09506	136.8
[M+NH4]+	214.13616	159.1
[M+K]+	235.06550	145.4
[M+H-H2O]+	179.09960	135.0
[M+HCOO]-	241.10054	159.5
[M+CH3COO]-	255.11619	186.8
[M+Na-2H]-	217.07701	143.1
[M]+	196.10179	135.7
[M]-	196.10289	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe