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]+ 205.098296 144.5
[M+Na]+ 227.080238 149.6
[M-H]- 203.083744 143.6
[M+NH4]+ 222.124843 158.5
[M+K]+ 243.054178 148.8
[M+H-H2O]+ 187.088280 136.3
[M+HCOO]- 249.089221 154.3
[M+CH3COO]- 263.104871 175.9
[M+Na-2H]- 225.065686 150.4
[M]+ 204.09047142 135.5
[M]- 204.09156858 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.