CID 3061079

3-((dimethylamino)methyl)-4-phenyl-1-oxaspiro(4.5)decan-2-one hydrochloride

Structural Information

Molecular Formula
C18H25NO2
SMILES
CN(C)CC1C(C2(CCCCC2)OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H25NO2/c1-19(2)13-15-16(14-9-5-3-6-10-14)18(21-17(15)20)11-7-4-8-12-18/h3,5-6,9-10,15-16H,4,7-8,11-13H2,1-2H3
InChIKey
CUKIUVSGMCKFCJ-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4-phenyl-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 169.3
[M+Na]+ 310.17776 173.5
[M-H]- 286.18126 179.0
[M+NH4]+ 305.22236 187.7
[M+K]+ 326.15170 171.8
[M+H-H2O]+ 270.18580 161.8
[M+HCOO]- 332.18674 188.5
[M+CH3COO]- 346.20239 205.2
[M+Na-2H]- 308.16321 170.7
[M]+ 287.18799 165.9
[M]- 287.18909 165.9
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