CID 3048574

Nu-1058

Structural Information

Molecular Formula
C18H34N2O2
SMILES
CCCCN1CCC(CC1)(C2CN(CCC2=O)CCCC)O
InChI
InChI=1S/C18H34N2O2/c1-3-5-10-19-13-8-18(22,9-14-19)16-15-20(11-6-4-2)12-7-17(16)21/h16,22H,3-15H2,1-2H3
InChIKey
PJFVYCLEINPCQM-UHFFFAOYSA-N
Compound name
1-butyl-3-(1-butyl-4-hydroxypiperidin-4-yl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.26202 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.26930 181.0
[M+Na]+ 333.25124 183.1
[M-H]- 309.25474 181.3
[M+NH4]+ 328.29584 194.1
[M+K]+ 349.22518 179.3
[M+H-H2O]+ 293.25928 172.2
[M+HCOO]- 355.26022 191.6
[M+CH3COO]- 369.27587 205.3
[M+Na-2H]- 331.23669 179.4
[M]+ 310.26147 175.6
[M]- 310.26257 175.6
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.