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

28
Patents

309.2304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.23768 179.3
[M+Na]+ 332.21962 185.7
[M+NH4]+ 327.26422 184.5
[M+K]+ 348.19356 179.7
[M-H]- 308.22312 179.3
[M+Na-2H]- 330.20507 180.0
[M]+ 309.22985 179.6
[M]- 309.23095 179.6
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