CID 80559175

2138136-32-8

Structural Information

Molecular Formula

C₆H₁₁F₃N₂

SMILES

C1C(CC1NCC(F)(F)F)N

InChI

InChI=1S/C6H11F3N2/c7-6(8,9)3-11-5-1-4(10)2-5/h4-5,11H,1-3,10H2

InChIKey

UGBIUJAXSNQBTP-UHFFFAOYSA-N

Compound name

1-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 168.08743 Da
Monoisotopic Mass: 0.6
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]+	169.09471	144.8
[M+Na]+	191.07665	146.6
[M+NH4]+	186.12125	146.7
[M+K]+	207.05059	143.9
[M-H]-	167.08015	139.5
[M+Na-2H]-	189.06210	144.3
[M]+	168.08688	142.0
[M]-	168.08798	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe