CID 58202

1,4-dioxa-6-methyl-8-aza-8-(1-phenylcyclohexyl)spiro(4,5)decane hydrobromide

Structural Information

Molecular Formula
C20H29NO2
SMILES
CC1CN(CCC12OCCO2)C3(CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C20H29NO2/c1-17-16-21(13-12-20(17)22-14-15-23-20)19(10-6-3-7-11-19)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3
InChIKey
KVJNIACWYIOHJQ-UHFFFAOYSA-N
Compound name
6-methyl-8-(1-phenylcyclohexyl)-1,4-dioxa-8-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 179.4
[M+Na]+ 338.20904 190.8
[M+NH4]+ 333.25364 191.3
[M+K]+ 354.18298 181.3
[M-H]- 314.21254 188.5
[M+Na-2H]- 336.19449 187.9
[M]+ 315.21927 183.9
[M]- 315.22037 183.9
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

No patent data available for this compound.