CID 512351

9-(1-adamantylmethyl)-9-azaspiro[4.4]nonane

Structural Information

Molecular Formula
C19H31N
SMILES
C1CCC2(C1)CCCN2CC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C19H31N/c1-2-5-19(4-1)6-3-7-20(19)14-18-11-15-8-16(12-18)10-17(9-15)13-18/h15-17H,1-14H2
InChIKey
JFIMVPZSIXULLE-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-1-azaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.24564 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.25292 163.5
[M+Na]+ 296.23486 163.6
[M-H]- 272.23836 161.5
[M+NH4]+ 291.27946 190.0
[M+K]+ 312.20880 157.1
[M+H-H2O]+ 256.24290 153.7
[M+HCOO]- 318.24384 166.3
[M+CH3COO]- 332.25949 170.1
[M+Na-2H]- 294.22031 165.7
[M]+ 273.24509 157.3
[M]- 273.24619 157.3
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.