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

1
Patents

273.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.4
[M+Na]+ 296.16210 170.8
[M-H]- 272.16560 175.8
[M+NH4]+ 291.20670 186.3
[M+K]+ 312.13604 169.3
[M+H-H2O]+ 256.17014 159.1
[M+HCOO]- 318.17108 187.1
[M+CH3COO]- 332.18673 201.9
[M+Na-2H]- 294.14755 165.9
[M]+ 273.17233 163.9
[M]- 273.17343 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