CID 83855126

3,3-difluoro-2-methylbutan-2-amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁F₂N

SMILES

CC(C)(C(C)(F)F)N

InChI

InChI=1S/C5H11F2N/c1-4(2,8)5(3,6)7/h8H2,1-3H3

InChIKey

OKFXQSPWMSNPFI-UHFFFAOYSA-N

Compound name

3,3-difluoro-2-methylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 123.08595 Da
Monoisotopic Mass: 0.9
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]+	124.09323	122.9
[M+Na]+	146.07517	130.7
[M-H]-	122.07867	120.7
[M+NH4]+	141.11977	145.0
[M+K]+	162.04911	130.3
[M+H-H2O]+	106.08321	117.8
[M+HCOO]-	168.08415	142.2
[M+CH3COO]-	182.09980	174.5
[M+Na-2H]-	144.06062	129.8
[M]+	123.08540	118.4
[M]-	123.08650	118.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.