CID 125448905

3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

Structural Information

Molecular Formula
C8H11F3N2O
SMILES
C1CNCCC12CC(=NO2)C(F)(F)F
InChI
InChI=1S/C8H11F3N2O/c9-8(10,11)6-5-7(14-13-6)1-3-12-4-2-7/h12H,1-5H2
InChIKey
ABVRBMZCEZOFSB-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

208.08235 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08963 141.3
[M+Na]+ 231.07157 148.2
[M-H]- 207.07507 139.1
[M+NH4]+ 226.11617 159.2
[M+K]+ 247.04551 146.4
[M+H-H2O]+ 191.07961 132.3
[M+HCOO]- 253.08055 153.0
[M+CH3COO]- 267.09620 177.9
[M+Na-2H]- 229.05702 146.8
[M]+ 208.08180 131.5
[M]- 208.08290 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe