CID 12788572

Butyl(2,2,2-trifluoroethyl)amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₂F₃N

SMILES

CCCCNCC(F)(F)F

InChI

InChI=1S/C6H12F3N/c1-2-3-4-10-5-6(7,8)9/h10H,2-5H2,1H3

InChIKey

VBKFRZZEICMFFH-UHFFFAOYSA-N

Compound name

N-(2,2,2-trifluoroethyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 155.09218 Da
Monoisotopic Mass: 2.2
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]+	156.099456	130.4
[M+Na]+	178.081398	137.3
[M-H]-	154.084904	126.7
[M+NH4]+	173.126003	151.3
[M+K]+	194.055338	136.2
[M+H-H2O]+	138.089440	123.4
[M+HCOO]-	200.090381	150.4
[M+CH3COO]-	214.106031	180.0
[M+Na-2H]-	176.066846	136.5
[M]+	155.09163142	126.5
[M]-	155.09272858	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe