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]+ 318.24275 180.6
[M+Na]+ 340.22469 181.4
[M-H]- 316.22819 188.2
[M+NH4]+ 335.26929 193.4
[M+K]+ 356.19863 180.3
[M+H-H2O]+ 300.23273 171.6
[M+HCOO]- 362.23367 194.1
[M+CH3COO]- 376.24932 209.1
[M+Na-2H]- 338.21014 183.3
[M]+ 317.23492 174.6
[M]- 317.23602 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.