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]+ 264.232176 163.4
[M+Na]+ 286.214118 161.0
[M-H]- 262.217624 157.2
[M+NH4]+ 281.258723 183.9
[M+K]+ 302.188058 156.8
[M+H-H2O]+ 246.222160 154.4
[M+HCOO]- 308.223101 162.6
[M+CH3COO]- 322.238751 168.4
[M+Na-2H]- 284.199566 169.6
[M]+ 263.22435142 156.9
[M]- 263.22544858 156.9
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.