CID 132259850

2170372-49-1

Structural Information

Molecular Formula

C₈H₁₃F₂NO

SMILES

C1CC2(CCC1(CO2)N)C(F)F

InChI

InChI=1S/C8H13F2NO/c9-6(10)8-3-1-7(11,2-4-8)5-12-8/h6H,1-5,11H2

InChIKey

KBHSXFRYSJHXIG-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)-2-oxabicyclo[2.2.2]octan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 177.09653 Da
Monoisotopic Mass: 0.7
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]+	178.10381	137.2
[M+Na]+	200.08575	142.4
[M-H]-	176.08925	131.8
[M+NH4]+	195.13035	163.5
[M+K]+	216.05969	141.3
[M+H-H2O]+	160.09379	131.0
[M+HCOO]-	222.09473	146.1
[M+CH3COO]-	236.11038	147.5
[M+Na-2H]-	198.07120	149.0
[M]+	177.09598	133.8
[M]-	177.09708	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe