CID 50990614

1384431-10-0

Structural Information

Molecular Formula

C₇H₁₀F₃NO

SMILES

C1C2(CC1(C(F)(F)F)O)CNC2

InChI

InChI=1S/C7H10F3NO/c8-7(9,10)6(12)1-5(2-6)3-11-4-5/h11-12H,1-4H2

InChIKey

VJULAXOPUSEOFN-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)-2-azaspiro[3.3]heptan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.07144 Da
Monoisotopic Mass: 0.5
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]+	182.07872	137.5
[M+Na]+	204.06066	143.1
[M-H]-	180.06416	136.3
[M+NH4]+	199.10526	145.7
[M+K]+	220.03460	145.5
[M+H-H2O]+	164.06870	124.1
[M+HCOO]-	226.06964	148.5
[M+CH3COO]-	240.08529	186.7
[M+Na-2H]-	202.04611	143.2
[M]+	181.07089	146.1
[M]-	181.07199	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe