CID 3077984

Brn 5346628

Structural Information

Molecular Formula
C17H21NO3
SMILES
C1CCC2(CC1)C(CC(=O)O2)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C17H21NO3/c19-15-11-14(17(21-15)9-5-2-6-10-17)16(20)18-12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,20)
InChIKey
GEOUDRDQCAMJFE-UHFFFAOYSA-N
Compound name
N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 167.5
[M+Na]+ 310.141348 171.0
[M-H]- 286.144854 175.7
[M+NH4]+ 305.185953 184.7
[M+K]+ 326.115288 168.7
[M+H-H2O]+ 270.149390 160.1
[M+HCOO]- 332.150331 185.9
[M+CH3COO]- 346.165981 199.3
[M+Na-2H]- 308.126796 169.9
[M]+ 287.15158142 162.2
[M]- 287.15267858 162.2
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.