CID 3066818

111325-84-9

Structural Information

Molecular Formula
C18H36N2O
SMILES
CCCCCCCC(C)(C)NC(=O)CN1CCCCC1C
InChI
InChI=1S/C18H36N2O/c1-5-6-7-8-10-13-18(3,4)19-17(21)15-20-14-11-9-12-16(20)2/h16H,5-15H2,1-4H3,(H,19,21)
InChIKey
UEKKYQGUDKJXMF-UHFFFAOYSA-N
Compound name
N-(2-methylnonan-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.28278 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.29006 180.2
[M+Na]+ 319.27200 181.3
[M-H]- 295.27550 180.2
[M+NH4]+ 314.31660 194.0
[M+K]+ 335.24594 178.6
[M+H-H2O]+ 279.28004 172.5
[M+HCOO]- 341.28098 195.0
[M+CH3COO]- 355.29663 209.9
[M+Na-2H]- 317.25745 179.9
[M]+ 296.28223 178.8
[M]- 296.28333 178.8
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

No patent data available for this compound.