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

10
Patents

250.11176 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.119036 155.6
[M+Na]+ 273.100978 162.3
[M-H]- 249.104484 159.2
[M+NH4]+ 268.145583 171.7
[M+K]+ 289.074918 158.9
[M+H-H2O]+ 233.109020 146.4
[M+HCOO]- 295.109961 169.8
[M+CH3COO]- 309.125611 166.1
[M+Na-2H]- 271.086426 158.5
[M]+ 250.11121142 148.1
[M]- 250.11230858 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