CID 137928084

3-(fluoromethyl)-4,8-dioxa-1,10-diazaspiro[5.5]undecan-9-one

Structural Information

Molecular Formula
C8H13FN2O3
SMILES
C1C(OCC2(N1)CNC(=O)OC2)CF
InChI
InChI=1S/C8H13FN2O3/c9-1-6-2-11-8(4-13-6)3-10-7(12)14-5-8/h6,11H,1-5H2,(H,10,12)
InChIKey
TWLAJKFOTGXMQA-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)-4,8-dioxa-1,10-diazaspiro[5.5]undecan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09102 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09830 144.5
[M+Na]+ 227.08024 149.6
[M-H]- 203.08374 143.6
[M+NH4]+ 222.12484 158.5
[M+K]+ 243.05418 148.8
[M+H-H2O]+ 187.08828 136.3
[M+HCOO]- 249.08922 154.3
[M+CH3COO]- 263.10487 175.9
[M+Na-2H]- 225.06569 150.4
[M]+ 204.09047 135.5
[M]- 204.09157 135.5
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

No patent data available for this compound.