CID 75488623

1403864-40-3

Structural Information

Molecular Formula

C₇H₁₃F₂NO

SMILES

C1CC(CCC1N)OC(F)F

InChI

InChI=1S/C7H13F2NO/c8-7(9)11-6-3-1-5(10)2-4-6/h5-7H,1-4,10H2

InChIKey

NRPDIKHIOPBBKH-UHFFFAOYSA-N

Compound name

4-(difluoromethoxy)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 165.09653 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]+	166.103806	133.6
[M+Na]+	188.085748	138.6
[M-H]-	164.089254	133.3
[M+NH4]+	183.130353	153.4
[M+K]+	204.059688	137.5
[M+H-H2O]+	148.093790	126.2
[M+HCOO]-	210.094731	151.9
[M+CH3COO]-	224.110381	180.0
[M+Na-2H]-	186.071196	135.8
[M]+	165.09598142	125.4
[M]-	165.09707858	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe