CID 165799453

5-(trifluoromethyl)azocan-5-ol

Structural Information

Molecular Formula

C₈H₁₄F₃NO

SMILES

C1CC(CCCNC1)(C(F)(F)F)O

InChI

InChI=1S/C8H14F3NO/c9-8(10,11)7(13)3-1-5-12-6-2-4-7/h12-13H,1-6H2

InChIKey

JVGGCDLUIPHACK-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)azocan-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.10275 Da
Monoisotopic Mass: 1.3
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]+	198.110026	149.9
[M+Na]+	220.091968	154.2
[M-H]-	196.095474	148.1
[M+NH4]+	215.136573	158.3
[M+K]+	236.065908	154.0
[M+H-H2O]+	180.100010	145.7
[M+HCOO]-	242.100951	155.2
[M+CH3COO]-	256.116601	219.1
[M+Na-2H]-	218.077416	150.1
[M]+	197.10220142	144.9
[M]-	197.10329858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.