CID 9841182

Sq609

Structural Information

Molecular Formula
C22H38N2O
SMILES
C1CN(CCC1CN2CCC(CC2)O)CC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C22H38N2O/c25-21-3-7-23(8-4-21)15-17-1-5-24(6-2-17)16-22-12-18-9-19(13-22)11-20(10-18)14-22/h17-21,25H,1-16H2
InChIKey
YUBKDPOCUHUSLW-UHFFFAOYSA-N
Compound name
1-[[1-(1-adamantylmethyl)piperidin-4-yl]methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

346.2984 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.30568 182.4
[M+Na]+ 369.28762 178.0
[M-H]- 345.29112 176.6
[M+NH4]+ 364.33222 197.8
[M+K]+ 385.26156 172.4
[M+H-H2O]+ 329.29566 169.8
[M+HCOO]- 391.29660 176.7
[M+CH3COO]- 405.31225 184.6
[M+Na-2H]- 367.27307 184.9
[M]+ 346.29785 172.5
[M]- 346.29895 172.5
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

patents stripe