CID 31942

Ketone, 1-adamantyl piperidinomethyl, hydrochloride

Structural Information

Molecular Formula
C17H27NO
SMILES
C1CCN(CC1)CC(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H27NO/c19-16(12-18-4-2-1-3-5-18)17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,1-12H2
InChIKey
DQFLKPWLPICBGZ-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.20926 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 161.7
[M+Na]+ 284.19848 159.9
[M-H]- 260.20198 156.9
[M+NH4]+ 279.24308 182.8
[M+K]+ 300.17242 155.9
[M+H-H2O]+ 244.20652 152.2
[M+HCOO]- 306.20746 162.6
[M+CH3COO]- 320.22311 167.4
[M+Na-2H]- 282.18393 168.3
[M]+ 261.20871 156.2
[M]- 261.20981 156.2
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.