CID 115014468

2,2-difluoro-8-azaspiro[4.5]decane

Structural Information

Molecular Formula

C₉H₁₅F₂N

SMILES

C1CC(CC12CCNCC2)(F)F

InChI

InChI=1S/C9H15F2N/c10-9(11)2-1-8(7-9)3-5-12-6-4-8/h12H,1-7H2

InChIKey

HLCNBSYWXRTARZ-UHFFFAOYSA-N

Compound name

3,3-difluoro-8-azaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 175.11725 Da
Monoisotopic Mass: 1.9
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]+	176.124526	138.4
[M+Na]+	198.106468	144.3
[M-H]-	174.109974	138.0
[M+NH4]+	193.151073	162.1
[M+K]+	214.080408	141.1
[M+H-H2O]+	158.114510	131.0
[M+HCOO]-	220.115451	153.1
[M+CH3COO]-	234.131101	149.5
[M+Na-2H]-	196.091916	142.3
[M]+	175.11670142	127.0
[M]-	175.11779858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe