CID 101344

1,4-dipiperidino-2-butyne

Structural Information

Molecular Formula
C14H24N2
SMILES
C1CCN(CC1)CC#CCN2CCCCC2
InChI
InChI=1S/C14H24N2/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-14H2
InChIKey
IGBKLEILPKRTFQ-UHFFFAOYSA-N
Compound name
1-(4-piperidin-1-ylbut-2-ynyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

220.19395 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 150.2
[M+Na]+ 243.18317 154.2
[M-H]- 219.18667 149.5
[M+NH4]+ 238.22777 163.1
[M+K]+ 259.15711 148.5
[M+H-H2O]+ 203.19121 135.0
[M+HCOO]- 265.19215 158.5
[M+CH3COO]- 279.20780 194.2
[M+Na-2H]- 241.16862 151.8
[M]+ 220.19340 136.3
[M]- 220.19450 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe