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

0
Patents

287.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 169.3
[M+Na]+ 310.177758 173.5
[M-H]- 286.181264 179.0
[M+NH4]+ 305.222363 187.7
[M+K]+ 326.151698 171.8
[M+H-H2O]+ 270.185800 161.8
[M+HCOO]- 332.186741 188.5
[M+CH3COO]- 346.202391 205.2
[M+Na-2H]- 308.163206 170.7
[M]+ 287.18799142 165.9
[M]- 287.18908858 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