CID 118989110

1454909-15-9

Structural Information

Molecular Formula

SMILES

C1C2(CN1)COC2C(F)(F)F

InChI

InChI=1S/C6H8F3NO/c7-6(8,9)4-5(3-11-4)1-10-2-5/h4,10H,1-3H2

InChIKey

OHZFVMDDSQGUBE-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)-2-oxa-6-azaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.0558 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]+	168.06308	150.6
[M+Na]+	190.04502	150.2
[M+NH4]+	185.08962	150.3
[M+K]+	206.01896	147.9
[M-H]-	166.04852	143.6
[M+Na-2H]-	188.03047	148.8
[M]+	167.05525	146.4
[M]-	167.05635	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.