CID 137933904

4-benzyl-1-oxa-4-azaspiro[5.5]undecan-9-one

Structural Information

Molecular Formula
C16H21NO2
SMILES
C1CC2(CCC1=O)CN(CCO2)CC3=CC=CC=C3
InChI
InChI=1S/C16H21NO2/c18-15-6-8-16(9-7-15)13-17(10-11-19-16)12-14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKey
UJSADZFRTJAYTJ-UHFFFAOYSA-N
Compound name
4-benzyl-1-oxa-4-azaspiro[5.5]undecan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 161.7
[M+Na]+ 282.14645 165.5
[M-H]- 258.14995 168.1
[M+NH4]+ 277.19105 177.1
[M+K]+ 298.12039 163.1
[M+H-H2O]+ 242.15449 152.4
[M+HCOO]- 304.15543 176.4
[M+CH3COO]- 318.17108 171.7
[M+Na-2H]- 280.13190 166.4
[M]+ 259.15668 154.8
[M]- 259.15778 154.8
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.