CID 86775156

2243513-08-6

Structural Information

Molecular Formula

C₆H₁₀F₃N

SMILES

C1C(CC1C(F)(F)F)CN

InChI

InChI=1S/C6H10F3N/c7-6(8,9)5-1-4(2-5)3-10/h4-5H,1-3,10H2

InChIKey

PBXZZISHEWEXTC-UHFFFAOYSA-N

Compound name

[3-(trifluoromethyl)cyclobutyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 153.07654 Da
Monoisotopic Mass: 1.4
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	130.2
[M+Na]+	176.065758	136.4
[M-H]-	152.069264	129.6
[M+NH4]+	171.110363	144.5
[M+K]+	192.039698	137.8
[M+H-H2O]+	136.073800	118.0
[M+HCOO]-	198.074741	147.9
[M+CH3COO]-	212.090391	181.7
[M+Na-2H]-	174.051206	134.0
[M]+	153.07599142	131.6
[M]-	153.07708858	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe