CID 121207583

2098022-90-1

Structural Information

Molecular Formula

C₇H₁₁F₂N

SMILES

C1C(CC12CC2(F)F)CN

InChI

InChI=1S/C7H11F2N/c8-7(9)4-6(7)1-5(2-6)3-10/h5H,1-4,10H2

InChIKey

DAGVETNPHHNTKM-UHFFFAOYSA-N

Compound name

(2,2-difluorospiro[2.3]hexan-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 147.08595 Da
Monoisotopic Mass: 0.9
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]+	148.09323	126.7
[M+Na]+	170.07517	136.0
[M-H]-	146.07867	131.3
[M+NH4]+	165.11977	141.0
[M+K]+	186.04911	137.0
[M+H-H2O]+	130.08321	117.5
[M+HCOO]-	192.08415	146.5
[M+CH3COO]-	206.09980	183.8
[M+Na-2H]-	168.06062	133.6
[M]+	147.08540	133.0
[M]-	147.08650	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe