CID 79338323

Piperidin-2-ylmethyl azepane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H24N2O2
SMILES
C1CCCN(CC1)C(=O)OCC2CCCCN2
InChI
InChI=1S/C13H24N2O2/c16-13(15-9-5-1-2-6-10-15)17-11-12-7-3-4-8-14-12/h12,14H,1-11H2
InChIKey
IGOWNROSUIINJN-UHFFFAOYSA-N
Compound name
piperidin-2-ylmethyl azepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 158.7
[M+Na]+ 263.17300 165.1
[M+NH4]+ 258.21760 164.7
[M+K]+ 279.14694 161.3
[M-H]- 239.17650 159.5
[M+Na-2H]- 261.15845 162.1
[M]+ 240.18323 159.4
[M]- 240.18433 159.4
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.