CID 135393075

2025402-94-0

Structural Information

Molecular Formula

C₉H₁₅F₂N

SMILES

C1CC(CCC12CC2CN)(F)F

InChI

InChI=1S/C9H15F2N/c10-9(11)3-1-8(2-4-9)5-7(8)6-12/h7H,1-6,12H2

InChIKey

XBKBMTHYDYEHOM-UHFFFAOYSA-N

Compound name

(6,6-difluorospiro[2.5]octan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.11725 Da
Monoisotopic Mass: 1.7
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]+	176.12453	133.8
[M+Na]+	198.10647	142.3
[M-H]-	174.10997	137.4
[M+NH4]+	193.15107	152.8
[M+K]+	214.08041	140.6
[M+H-H2O]+	158.11451	127.8
[M+HCOO]-	220.11545	152.0
[M+CH3COO]-	234.13110	184.6
[M+Na-2H]-	196.09192	139.7
[M]+	175.11670	128.8
[M]-	175.11780	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.