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]+ 216.138286 146.1
[M+Na]+ 238.120228 150.8
[M-H]- 214.123734 151.3
[M+NH4]+ 233.164833 158.1
[M+K]+ 254.094168 149.6
[M+H-H2O]+ 198.128270 133.8
[M+HCOO]- 260.129211 162.2
[M+CH3COO]- 274.144861 186.9
[M+Na-2H]- 236.105676 151.3
[M]+ 215.13046142 147.7
[M]- 215.13155858 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.