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 163.4
[M+Na]+ 286.21412 161.0
[M-H]- 262.21762 157.2
[M+NH4]+ 281.25872 183.9
[M+K]+ 302.18806 156.8
[M+H-H2O]+ 246.22216 154.4
[M+HCOO]- 308.22310 162.6
[M+CH3COO]- 322.23875 168.4
[M+Na-2H]- 284.19957 169.6
[M]+ 263.22435 156.9
[M]- 263.22545 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.