CID 132316197

1886967-52-7

Structural Information

Molecular Formula

C₇H₁₀F₃N

SMILES

C1C2(CC1(C2)C(F)(F)F)CN

InChI

InChI=1S/C7H10F3N/c8-7(9,10)6-1-5(2-6,3-6)4-11/h1-4,11H2

InChIKey

NSWKDQRUDSLKBW-UHFFFAOYSA-N

Compound name

[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 165.07654 Da
Monoisotopic Mass: 1.2
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]+	166.083816	159.0
[M+Na]+	188.065758	163.7
[M-H]-	164.069264	159.4
[M+NH4]+	183.110363	165.4
[M+K]+	204.039698	168.3
[M+H-H2O]+	148.073800	144.8
[M+HCOO]-	210.074741	169.3
[M+CH3COO]-	224.090391	208.3
[M+Na-2H]-	186.051206	164.5
[M]+	165.07599142	178.9
[M]-	165.07708858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe