CID 82595108

1803604-67-2

Structural Information

Molecular Formula

C₆H₁₀F₃N

SMILES

C1CC(C1)(CN)C(F)(F)F

InChI

InChI=1S/C6H10F3N/c7-6(8,9)5(4-10)2-1-3-5/h1-4,10H2

InChIKey

RWCORNWVMMMPDS-UHFFFAOYSA-N

Compound name

[1-(trifluoromethyl)cyclobutyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 153.07654 Da
Monoisotopic Mass: 1.5
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]+	154.083816	131.4
[M+Na]+	176.065758	137.6
[M-H]-	152.069264	130.9
[M+NH4]+	171.110363	147.4
[M+K]+	192.039698	139.0
[M+H-H2O]+	136.073800	120.4
[M+HCOO]-	198.074741	149.2
[M+CH3COO]-	212.090391	180.2
[M+Na-2H]-	174.051206	137.0
[M]+	153.07599142	132.8
[M]-	153.07708858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe