CID 91663012

1807941-11-2

Structural Information

Molecular Formula

C₆H₁₁F₂NO

SMILES

C1C[C@H]([C@@H](C1)OC(F)F)N

InChI

InChI=1S/C6H11F2NO/c7-6(8)10-5-3-1-2-4(5)9/h4-6H,1-3,9H2/t4-,5-/m1/s1

InChIKey

HDAQBVUGOMOFIG-RFZPGFLSSA-N

Compound name

(1R,2R)-2-(difluoromethoxy)cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 151.08087 Da
Monoisotopic Mass: 1.1
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]+	152.08815	129.0
[M+Na]+	174.07009	135.2
[M-H]-	150.07359	129.1
[M+NH4]+	169.11469	151.1
[M+K]+	190.04403	134.4
[M+H-H2O]+	134.07813	121.9
[M+HCOO]-	196.07907	149.7
[M+CH3COO]-	210.09472	176.7
[M+Na-2H]-	172.05554	130.6
[M]+	151.08032	122.5
[M]-	151.08142	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe