CID 56624991

1-(3,3-diethoxypropyl)piperidine

Structural Information

Molecular Formula
C12H25NO2
SMILES
CCOC(CCN1CCCCC1)OCC
InChI
InChI=1S/C12H25NO2/c1-3-14-12(15-4-2)8-11-13-9-6-5-7-10-13/h12H,3-11H2,1-2H3
InChIKey
JMOIBTMVTGFQCR-UHFFFAOYSA-N
Compound name
1-(3,3-diethoxypropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.18852 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.19580 154.5
[M+Na]+ 238.17774 157.1
[M-H]- 214.18124 154.8
[M+NH4]+ 233.22234 171.3
[M+K]+ 254.15168 156.6
[M+H-H2O]+ 198.18578 146.9
[M+HCOO]- 260.18672 171.8
[M+CH3COO]- 274.20237 189.0
[M+Na-2H]- 236.16319 156.7
[M]+ 215.18797 153.9
[M]- 215.18907 153.9
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

No patent data available for this compound.