CID 65993372

2172079-26-2

Structural Information

Molecular Formula

C₆H₁₁F₃N₂

SMILES

C1C(CN1CC(F)(F)F)CN

InChI

InChI=1S/C6H11F3N2/c7-6(8,9)4-11-2-5(1-10)3-11/h5H,1-4,10H2

InChIKey

MAWGTPHAMLPCMH-UHFFFAOYSA-N

Compound name

[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.08743 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]+	169.09471	144.5
[M+Na]+	191.07665	147.2
[M+NH4]+	186.12125	146.2
[M+K]+	207.05059	144.4
[M-H]-	167.08015	138.3
[M+Na-2H]-	189.06210	143.9
[M]+	168.08688	141.6
[M]-	168.08798	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.