CID 208038

31537-06-1

Structural Information

Molecular Formula
C16H19NO3
SMILES
C1CCC2(CC1)C(CC(=O)O2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C16H19NO3/c18-14-11-13(16(20-14)9-5-2-6-10-16)15(19)17-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,19)
InChIKey
KCMFZLBQXURGIT-UHFFFAOYSA-N
Compound name
2-oxo-N-phenyl-1-oxaspiro[4.5]decane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

273.1365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.0
[M+Na]+ 296.12572 166.9
[M-H]- 272.12922 171.4
[M+NH4]+ 291.17032 180.8
[M+K]+ 312.09966 164.8
[M+H-H2O]+ 256.13376 155.8
[M+HCOO]- 318.13470 181.8
[M+CH3COO]- 332.15035 196.3
[M+Na-2H]- 294.11117 165.9
[M]+ 273.13595 157.4
[M]- 273.13705 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.