CID 10470602

3-oxo-n-(2-oxocyclohexyl)dodecanamide

Structural Information

Molecular Formula
C18H31NO3
SMILES
CCCCCCCCCC(=O)CC(=O)NC1CCCCC1=O
InChI
InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-11-15(20)14-18(22)19-16-12-9-10-13-17(16)21/h16H,2-14H2,1H3,(H,19,22)
InChIKey
JDVHCWYKJODEND-UHFFFAOYSA-N
Compound name
3-oxo-N-(2-oxocyclohexyl)dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

309.2304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.237676 179.5
[M+Na]+ 332.219618 180.2
[M-H]- 308.223124 180.6
[M+NH4]+ 327.264223 193.4
[M+K]+ 348.193558 177.5
[M+H-H2O]+ 292.227660 171.9
[M+HCOO]- 354.228601 196.9
[M+CH3COO]- 368.244251 210.2
[M+Na-2H]- 330.205066 177.1
[M]+ 309.22985142 178.8
[M]- 309.23094858 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

literature stripe

Patent stripe

patents stripe