CID 64194

1-piperidineethanol, alpha-1-adamantyl-, hydrochloride

Structural Information

Molecular Formula
C17H29NO
SMILES
C1CCN(CC1)CC(C23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C17H29NO/c19-16(12-18-4-2-1-3-5-18)17-9-13-6-14(10-17)8-15(7-13)11-17/h13-16,19H,1-12H2
InChIKey
ZVCDHPXELZRAFC-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.2249 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.23218 166.4
[M+Na]+ 286.21412 174.4
[M+NH4]+ 281.25872 179.1
[M+K]+ 302.18806 164.5
[M-H]- 262.21762 165.7
[M+Na-2H]- 284.19957 163.1
[M]+ 263.22435 167.3
[M]- 263.22545 167.3
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.