CID 3061077

3-((dimethylamino)methyl)-4-phenyl-1-oxaspiro(4.4)nonan-2-one

Structural Information

Molecular Formula
C17H23NO2
SMILES
CN(C)CC1C(C2(CCCC2)OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO2/c1-18(2)12-14-15(13-8-4-3-5-9-13)17(20-16(14)19)10-6-7-11-17/h3-5,8-9,14-15H,6-7,10-12H2,1-2H3
InChIKey
ZQBJUBIMAQXWLF-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4-phenyl-1-oxaspiro[4.4]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 165.4
[M+Na]+ 296.162098 170.8
[M-H]- 272.165604 175.8
[M+NH4]+ 291.206703 186.3
[M+K]+ 312.136038 169.3
[M+H-H2O]+ 256.170140 159.1
[M+HCOO]- 318.171081 187.1
[M+CH3COO]- 332.186731 201.9
[M+Na-2H]- 294.147546 165.9
[M]+ 273.17233142 163.9
[M]- 273.17342858 163.9
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

patents stripe