CID 39554

49832-53-3

Structural Information

Molecular Formula
C19H32N2
SMILES
CC1(C2CCC1(CN(C2)CC#CCN3CCCCC3)C)C
InChI
InChI=1S/C19H32N2/c1-18(2)17-9-10-19(18,3)16-21(15-17)14-8-7-13-20-11-5-4-6-12-20/h17H,4-6,9-16H2,1-3H3
InChIKey
NHVRKGMIBUOQBH-UHFFFAOYSA-N
Compound name
1,8,8-trimethyl-3-(4-piperidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.25656 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.26384 175.3
[M+Na]+ 311.24578 184.5
[M+NH4]+ 306.29038 182.8
[M+K]+ 327.21972 171.6
[M-H]- 287.24928 169.2
[M+Na-2H]- 309.23123 176.3
[M]+ 288.25601 174.2
[M]- 288.25711 174.2
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.