CID 512352

4-(1-adamantylmethyl)-4-azaspiro[4.5]decane

Structural Information

Molecular Formula
C20H33N
SMILES
C1CCC2(CC1)CCCN2CC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C20H33N/c1-2-5-20(6-3-1)7-4-8-21(20)15-19-12-16-9-17(13-19)11-18(10-16)14-19/h16-18H,1-15H2
InChIKey
VVTWJBZAEFQNGH-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-1-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.2613 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.26858 167.3
[M+Na]+ 310.25052 165.7
[M-H]- 286.25402 164.3
[M+NH4]+ 305.29512 191.2
[M+K]+ 326.22446 159.3
[M+H-H2O]+ 270.25856 155.6
[M+HCOO]- 332.25950 167.2
[M+CH3COO]- 346.27515 172.5
[M+Na-2H]- 308.23597 170.8
[M]+ 287.26075 158.8
[M]- 287.26185 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.