CID 3012259

Chembl67066

Structural Information

Molecular Formula
C18H30N2O
SMILES
CN(C)CCN1CCC(C1=O)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C18H30N2O/c1-19(2)5-6-20-4-3-16(18(20)21)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,3-11H2,1-2H3
InChIKey
WHAWKEUXEMPHQH-UHFFFAOYSA-N
Compound name
3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.2358 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24308 169.4
[M+Na]+ 313.22502 169.0
[M-H]- 289.22852 166.6
[M+NH4]+ 308.26962 190.6
[M+K]+ 329.19896 165.7
[M+H-H2O]+ 273.23306 161.9
[M+HCOO]- 335.23400 174.5
[M+CH3COO]- 349.24965 176.1
[M+Na-2H]- 311.21047 172.0
[M]+ 290.23525 168.4
[M]- 290.23635 168.4
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

No patent data available for this compound.