CID 16740519

2-(piperidin-3-yl)azepane

Structural Information

Molecular Formula
C11H22N2
SMILES
C1CCC(NCC1)C2CCCNC2
InChI
InChI=1S/C11H22N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h10-13H,1-9H2
InChIKey
NILYFVLXUNTUTG-UHFFFAOYSA-N
Compound name
2-piperidin-3-ylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.1783 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.185576 143.4
[M+Na]+ 205.167518 142.9
[M-H]- 181.171024 143.5
[M+NH4]+ 200.212123 157.1
[M+K]+ 221.141458 143.1
[M+H-H2O]+ 165.175560 134.8
[M+HCOO]- 227.176501 154.1
[M+CH3COO]- 241.192151 151.2
[M+Na-2H]- 203.152966 145.6
[M]+ 182.17775142 127.7
[M]- 182.17884858 127.7
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.