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

literature stripe

Patent stripe

patents stripe