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

3
Patents

215.18852 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.195796 154.5
[M+Na]+ 238.177738 157.1
[M-H]- 214.181244 154.8
[M+NH4]+ 233.222343 171.3
[M+K]+ 254.151678 156.6
[M+H-H2O]+ 198.185780 146.9
[M+HCOO]- 260.186721 171.8
[M+CH3COO]- 274.202371 189.0
[M+Na-2H]- 236.163186 156.7
[M]+ 215.18797142 153.9
[M]- 215.18906858 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

patents stripe