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 179.5
[M+Na]+ 332.21962 180.2
[M-H]- 308.22312 180.6
[M+NH4]+ 327.26422 193.4
[M+K]+ 348.19356 177.5
[M+H-H2O]+ 292.22766 171.9
[M+HCOO]- 354.22860 196.9
[M+CH3COO]- 368.24425 210.2
[M+Na-2H]- 330.20507 177.1
[M]+ 309.22985 178.8
[M]- 309.23095 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