CID 380301

2-oxa-8-azaspiro(4.5)decan-3-one, 8-benzyl-1,1-dimethyl-

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1(C2(CCN(CC2)CC3=CC=CC=C3)CC(=O)O1)C
InChI
InChI=1S/C17H23NO2/c1-16(2)17(12-15(19)20-16)8-10-18(11-9-17)13-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKey
ZSNQTNXQNSSTTB-UHFFFAOYSA-N
Compound name
8-benzyl-1,1-dimethyl-2-oxa-8-azaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 164.5
[M+Na]+ 296.162098 170.9
[M-H]- 272.165604 172.0
[M+NH4]+ 291.206703 183.9
[M+K]+ 312.136038 168.4
[M+H-H2O]+ 256.170140 156.8
[M+HCOO]- 318.171081 181.3
[M+CH3COO]- 332.186731 175.8
[M+Na-2H]- 294.147546 167.6
[M]+ 273.17233142 161.1
[M]- 273.17342858 161.1
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.