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 146.1
[M+Na]+ 238.12023 150.8
[M-H]- 214.12373 151.3
[M+NH4]+ 233.16483 158.1
[M+K]+ 254.09417 149.6
[M+H-H2O]+ 198.12827 133.8
[M+HCOO]- 260.12921 162.2
[M+CH3COO]- 274.14486 186.9
[M+Na-2H]- 236.10568 151.3
[M]+ 215.13046 147.7
[M]- 215.13156 147.7
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.