CID 79338323

1803572-43-1

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 155.9
[M+Na]+ 263.17300 155.0
[M-H]- 239.17650 157.1
[M+NH4]+ 258.21760 167.9
[M+K]+ 279.14694 156.8
[M+H-H2O]+ 223.18104 146.6
[M+HCOO]- 285.18198 167.1
[M+CH3COO]- 299.19763 188.3
[M+Na-2H]- 261.15845 156.5
[M]+ 240.18323 143.9
[M]- 240.18433 143.9
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.