CID 40417

Adamantane, 1-(2-piperidinoethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H29N
SMILES
C1CCN(CC1)CCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H29N/c1-2-5-18(6-3-1)7-4-17-11-14-8-15(12-17)10-16(9-14)13-17/h14-16H,1-13H2
InChIKey
CJCMUZASNXCVSJ-UHFFFAOYSA-N
Compound name
1-[2-(1-adamantyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.23 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.23728 159.3
[M+Na]+ 270.21922 157.7
[M-H]- 246.22272 154.6
[M+NH4]+ 265.26382 181.2
[M+K]+ 286.19316 153.1
[M+H-H2O]+ 230.22726 149.4
[M+HCOO]- 292.22820 161.0
[M+CH3COO]- 306.24385 165.2
[M+Na-2H]- 268.20467 166.6
[M]+ 247.22945 153.6
[M]- 247.23055 153.6
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.