CID 121553063

3-phenyl-2-azaspiro[3.5]nonan-1-one

Structural Information

Molecular Formula
C14H17NO
SMILES
C1CCC2(CC1)C(NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C14H17NO/c16-13-14(9-5-2-6-10-14)12(15-13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,16)
InChIKey
DCABXSUPCDBEKV-UHFFFAOYSA-N
Compound name
1-phenyl-2-azaspiro[3.5]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.13101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 148.9
[M+Na]+ 238.12023 157.0
[M+NH4]+ 233.16483 155.4
[M+K]+ 254.09417 149.7
[M-H]- 214.12373 150.5
[M+Na-2H]- 236.10568 155.3
[M]+ 215.13046 149.4
[M]- 215.13156 149.4
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.