CID 39553

49832-52-2

Structural Information

Molecular Formula
C18H30N2
SMILES
CC1(C2CCC1(CN(C2)CC#CCN3CCCC3)C)C
InChI
InChI=1S/C18H30N2/c1-17(2)16-8-9-18(17,3)15-20(14-16)13-7-6-12-19-10-4-5-11-19/h16H,4-5,8-15H2,1-3H3
InChIKey
LVIOMMMBZFTDBV-UHFFFAOYSA-N
Compound name
1,8,8-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2409 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.248176 167.1
[M+Na]+ 297.230118 175.9
[M-H]- 273.233624 167.6
[M+NH4]+ 292.274723 187.3
[M+K]+ 313.204058 166.1
[M+H-H2O]+ 257.238160 153.6
[M+HCOO]- 319.239101 175.6
[M+CH3COO]- 333.254751 175.5
[M+Na-2H]- 295.215566 165.9
[M]+ 274.24035142 158.1
[M]- 274.24144858 158.1
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.