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]+ 288.15941 167.5
[M+Na]+ 310.14135 171.0
[M-H]- 286.14485 175.7
[M+NH4]+ 305.18595 184.7
[M+K]+ 326.11529 168.7
[M+H-H2O]+ 270.14939 160.1
[M+HCOO]- 332.15033 185.9
[M+CH3COO]- 346.16598 199.3
[M+Na-2H]- 308.12680 169.9
[M]+ 287.15158 162.2
[M]- 287.15268 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.