CID 3012265

Chembl70153

Structural Information

Molecular Formula
C18H32N2
SMILES
CN(C)CCN1CCC(C1)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C18H32N2/c1-19(2)5-6-20-4-3-15(12-20)18-16-8-13-7-14(10-16)11-17(18)9-13/h13-18H,3-12H2,1-2H3
InChIKey
BIWRXSBRVYMAOD-UHFFFAOYSA-N
Compound name
2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.25656 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.26384 166.9
[M+Na]+ 299.24578 165.6
[M-H]- 275.24928 163.9
[M+NH4]+ 294.29038 188.6
[M+K]+ 315.21972 162.2
[M+H-H2O]+ 259.25382 159.0
[M+HCOO]- 321.25476 171.8
[M+CH3COO]- 335.27041 173.5
[M+Na-2H]- 297.23123 169.9
[M]+ 276.25601 164.7
[M]- 276.25711 164.7
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.