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 178.0
[M+Na]+ 338.20904 180.3
[M-H]- 314.21254 187.5
[M+NH4]+ 333.25364 193.1
[M+K]+ 354.18298 178.7
[M+H-H2O]+ 298.21708 168.2
[M+HCOO]- 360.21802 189.5
[M+CH3COO]- 374.23367 186.8
[M+Na-2H]- 336.19449 179.2
[M]+ 315.21927 169.5
[M]- 315.22037 169.5
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.