CID 56773862

3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C13H15FN2O2
SMILES
C1CNCCC12CN(C(=O)O2)C3=CC(=CC=C3)F
InChI
InChI=1S/C13H15FN2O2/c14-10-2-1-3-11(8-10)16-9-13(18-12(16)17)4-6-15-7-5-13/h1-3,8,15H,4-7,9H2
InChIKey
CHJIZJMFNIVWLC-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

250.11176 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11904 155.6
[M+Na]+ 273.10098 162.3
[M-H]- 249.10448 159.2
[M+NH4]+ 268.14558 171.7
[M+K]+ 289.07492 158.9
[M+H-H2O]+ 233.10902 146.4
[M+HCOO]- 295.10996 169.8
[M+CH3COO]- 309.12561 166.1
[M+Na-2H]- 271.08643 158.5
[M]+ 250.11121 148.1
[M]- 250.11231 148.1
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