CID 3061087

N,n-dimethyl-4-phenyl-1-oxaspiro(4.5)decane-3-methanamine hydrochloride

Structural Information

Molecular Formula
C18H27NO
SMILES
CN(C)CC1COC2(C1C3=CC=CC=C3)CCCCC2
InChI
InChI=1S/C18H27NO/c1-19(2)13-16-14-20-18(11-7-4-8-12-18)17(16)15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3
InChIKey
OEBFKVOYRDTUGY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 167.7
[M+Na]+ 296.19848 170.6
[M-H]- 272.20198 176.9
[M+NH4]+ 291.24308 186.4
[M+K]+ 312.17242 169.0
[M+H-H2O]+ 256.20652 159.8
[M+HCOO]- 318.20746 186.5
[M+CH3COO]- 332.22311 178.5
[M+Na-2H]- 294.18393 169.5
[M]+ 273.20871 163.0
[M]- 273.20981 163.0
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