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]+ 275.24818 167.1
[M+Na]+ 297.23012 175.9
[M-H]- 273.23362 167.6
[M+NH4]+ 292.27472 187.3
[M+K]+ 313.20406 166.1
[M+H-H2O]+ 257.23816 153.6
[M+HCOO]- 319.23910 175.6
[M+CH3COO]- 333.25475 175.5
[M+Na-2H]- 295.21557 165.9
[M]+ 274.24035 158.1
[M]- 274.24145 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.