CID 3012266

Chembl69400

Structural Information

Molecular Formula
C20H36N2
SMILES
CCN(CC)CCN1CCC(C1)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C20H36N2/c1-3-21(4-2)7-8-22-6-5-17(14-22)20-18-10-15-9-16(12-18)13-19(20)11-15/h15-20H,3-14H2,1-2H3
InChIKey
OSXRTDGWTFHHGS-UHFFFAOYSA-N
Compound name
2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.28784 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.29512 176.0
[M+Na]+ 327.27706 173.8
[M-H]- 303.28056 172.5
[M+NH4]+ 322.32166 196.5
[M+K]+ 343.25100 170.0
[M+H-H2O]+ 287.28510 167.7
[M+HCOO]- 349.28604 180.2
[M+CH3COO]- 363.30169 181.7
[M+Na-2H]- 325.26251 177.9
[M]+ 304.28729 174.4
[M]- 304.28839 174.4
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.