CID 16768018

1-(piperidin-3-ylmethyl)azepane

Structural Information

Molecular Formula
C12H24N2
SMILES
C1CCCN(CC1)CC2CCCNC2
InChI
InChI=1S/C12H24N2/c1-2-4-9-14(8-3-1)11-12-6-5-7-13-10-12/h12-13H,1-11H2
InChIKey
PRSTVIHCTITYJE-UHFFFAOYSA-N
Compound name
1-(piperidin-3-ylmethyl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.19395 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.20123 149.9
[M+Na]+ 219.18317 157.7
[M+NH4]+ 214.22777 157.5
[M+K]+ 235.15711 152.3
[M-H]- 195.18667 152.1
[M+Na-2H]- 217.16862 154.8
[M]+ 196.19340 151.4
[M]- 196.19450 151.4
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.