CID 365302

Nsc632852

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCOC(=O)N1CCC(=O)C(C1)CNC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H30N2O3/c1-2-24-18(23)21-4-3-17(22)16(12-21)11-20-19-8-13-5-14(9-19)7-15(6-13)10-19/h13-16,20H,2-12H2,1H3
InChIKey
NFYNSPMEEAMKPU-UHFFFAOYSA-N
Compound name
ethyl 3-[(1-adamantylamino)methyl]-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 177.0
[M+Na]+ 357.214868 175.3
[M-H]- 333.218374 171.9
[M+NH4]+ 352.259473 195.3
[M+K]+ 373.188808 172.1
[M+H-H2O]+ 317.222910 167.9
[M+HCOO]- 379.223851 178.3
[M+CH3COO]- 393.239501 181.7
[M+Na-2H]- 355.200316 182.9
[M]+ 334.22510142 174.5
[M]- 334.22619858 174.5
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.