CID 3069311

5-(4-cyclohexylphenyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C34CNCC(O3)CO4
InChI
InChI=1S/C17H23NO2/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)17-12-18-10-16(20-17)11-19-17/h6-9,13,16,18H,1-5,10-12H2
InChIKey
VEILQBRMXYTWED-UHFFFAOYSA-N
Compound name
5-(4-cyclohexylphenyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 163.3
[M+Na]+ 296.16210 166.3
[M-H]- 272.16560 169.1
[M+NH4]+ 291.20670 179.0
[M+K]+ 312.13604 163.9
[M+H-H2O]+ 256.17014 155.0
[M+HCOO]- 318.17108 174.0
[M+CH3COO]- 332.18673 172.5
[M+Na-2H]- 294.14755 167.0
[M]+ 273.17233 155.7
[M]- 273.17343 155.7
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.