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]+ 335.23293 177.0
[M+Na]+ 357.21487 175.3
[M-H]- 333.21837 171.9
[M+NH4]+ 352.25947 195.3
[M+K]+ 373.18881 172.1
[M+H-H2O]+ 317.22291 167.9
[M+HCOO]- 379.22385 178.3
[M+CH3COO]- 393.23950 181.7
[M+Na-2H]- 355.20032 182.9
[M]+ 334.22510 174.5
[M]- 334.22620 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.