CID 71757070

1423034-08-5

Structural Information

Molecular Formula

C₁₂H₁₈F₃N

SMILES

C1C2CC3(CC1CC(C2)(C3)C(F)(F)F)CN

InChI

InChI=1S/C12H18F3N/c13-12(14,15)11-4-8-1-9(5-11)3-10(2-8,6-11)7-16/h8-9H,1-7,16H2

InChIKey

GIXIOOSUIVMGTF-UHFFFAOYSA-N

Compound name

[3-(trifluoromethyl)-1-adamantyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.13913 Da
Monoisotopic Mass: 2.8
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]+	234.14641	159.1
[M+Na]+	256.12835	163.0
[M-H]-	232.13185	150.5
[M+NH4]+	251.17295	185.3
[M+K]+	272.10229	158.4
[M+H-H2O]+	216.13639	150.9
[M+HCOO]-	278.13733	162.2
[M+CH3COO]-	292.15298	166.5
[M+Na-2H]-	254.11380	169.2
[M]+	233.13858	153.5
[M]-	233.13968	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe