CID 13370195

1,4-dioxaspiro(5.5)undecane-3-methanamine, 5-methyl-n-(1-methyl-2-phenylethyl)-, hydrochloride

Structural Information

Molecular Formula
C20H31NO2
SMILES
CC1C2(CCCCC2)OCC(O1)CNC(C)CC3=CC=CC=C3
InChI
InChI=1S/C20H31NO2/c1-16(13-18-9-5-3-6-10-18)21-14-19-15-22-20(17(2)23-19)11-7-4-8-12-20/h3,5-6,9-10,16-17,19,21H,4,7-8,11-15H2,1-2H3
InChIKey
BCPJHQJSWUGKEB-UHFFFAOYSA-N
Compound name
N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 180.6
[M+Na]+ 340.224688 181.4
[M-H]- 316.228194 188.2
[M+NH4]+ 335.269293 193.4
[M+K]+ 356.198628 180.3
[M+H-H2O]+ 300.232730 171.6
[M+HCOO]- 362.233671 194.1
[M+CH3COO]- 376.249321 209.1
[M+Na-2H]- 338.210136 183.3
[M]+ 317.23492142 174.6
[M]- 317.23601858 174.6
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

No patent data available for this compound.