CID 30704

3-(1-phenylcyclohexyl)-3-azaspiro(5.5)undecane hydrochloride

Structural Information

Molecular Formula
C22H33N
SMILES
C1CCC2(CC1)CCN(CC2)C3(CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H33N/c1-4-10-20(11-5-1)22(14-8-3-9-15-22)23-18-16-21(17-19-23)12-6-2-7-13-21/h1,4-5,10-11H,2-3,6-9,12-19H2
InChIKey
DLHHZOPAILVAHB-UHFFFAOYSA-N
Compound name
3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2613 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.26858 183.3
[M+Na]+ 334.25052 182.4
[M-H]- 310.25402 189.9
[M+NH4]+ 329.29512 198.5
[M+K]+ 350.22446 177.2
[M+H-H2O]+ 294.25856 171.0
[M+HCOO]- 356.25950 193.0
[M+CH3COO]- 370.27515 189.6
[M+Na-2H]- 332.23597 183.9
[M]+ 311.26075 168.2
[M]- 311.26185 168.2
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.