CID 3017372

1-(4,4-diethoxybutyl)piperidin-2-one

Structural Information

Molecular Formula
C13H25NO3
SMILES
CCOC(CCCN1CCCCC1=O)OCC
InChI
InChI=1S/C13H25NO3/c1-3-16-13(17-4-2)9-7-11-14-10-6-5-8-12(14)15/h13H,3-11H2,1-2H3
InChIKey
JTKDORYHWJDUAS-UHFFFAOYSA-N
Compound name
1-(4,4-diethoxybutyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.18344 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.190716 159.8
[M+Na]+ 266.172658 163.2
[M-H]- 242.176164 160.4
[M+NH4]+ 261.217263 175.7
[M+K]+ 282.146598 162.3
[M+H-H2O]+ 226.180700 152.3
[M+HCOO]- 288.181641 177.2
[M+CH3COO]- 302.197291 194.3
[M+Na-2H]- 264.158106 161.0
[M]+ 243.18289142 160.8
[M]- 243.18398858 160.8
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

patents stripe