CID 64226

1-piperidinepropionamide, n-1-adamantyl-, monohydrochloride

Structural Information

Molecular Formula
C18H30N2O
SMILES
C1CCN(CC1)CCC(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H30N2O/c21-17(4-7-20-5-2-1-3-6-20)19-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H,19,21)
InChIKey
YWRQVZLOQADYDS-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2358 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24308 166.6
[M+Na]+ 313.22502 163.7
[M-H]- 289.22852 161.3
[M+NH4]+ 308.26962 186.4
[M+K]+ 329.19896 159.8
[M+H-H2O]+ 273.23306 157.1
[M+HCOO]- 335.23400 168.2
[M+CH3COO]- 349.24965 171.5
[M+Na-2H]- 311.21047 173.7
[M]+ 290.23525 160.9
[M]- 290.23635 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.