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 170.6
[M+Na]+ 311.24578 178.2
[M-H]- 287.24928 170.5
[M+NH4]+ 306.29038 188.6
[M+K]+ 327.21972 168.2
[M+H-H2O]+ 271.25382 156.5
[M+HCOO]- 333.25476 176.7
[M+CH3COO]- 347.27041 177.9
[M+Na-2H]- 309.23123 170.4
[M]+ 288.25601 159.8
[M]- 288.25711 159.8
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.