CID 58569

101607-38-9

Structural Information

Molecular Formula
C16H31N3
SMILES
CN1C2CCCC1CN(C2)CCCN3CCCCC3
InChI
InChI=1S/C16H31N3/c1-17-15-7-5-8-16(17)14-19(13-15)12-6-11-18-9-3-2-4-10-18/h15-16H,2-14H2,1H3
InChIKey
NOJMHWMQNGTAKD-UHFFFAOYSA-N
Compound name
9-methyl-3-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.2518 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.25908 170.7
[M+Na]+ 288.24102 171.6
[M-H]- 264.24452 169.4
[M+NH4]+ 283.28562 183.9
[M+K]+ 304.21496 167.5
[M+H-H2O]+ 248.24906 159.9
[M+HCOO]- 310.25000 178.1
[M+CH3COO]- 324.26565 177.3
[M+Na-2H]- 286.22647 171.6
[M]+ 265.25125 161.6
[M]- 265.25235 161.6
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.