CID 154734376

Dtxsid50869129

Structural Information

Molecular Formula
C17H35NO
SMILES
CCCCC(CC)CNC(=O)CC(C)CC(C)(C)C
InChI
InChI=1S/C17H35NO/c1-7-9-10-15(8-2)13-18-16(19)11-14(3)12-17(4,5)6/h14-15H,7-13H2,1-6H3,(H,18,19)
InChIKey
OKVLJDBLLKNOQZ-UHFFFAOYSA-N
Compound name
N-(2-ethylhexyl)-3,5,5-trimethylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.27185 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.27913 175.6
[M+Na]+ 292.26107 177.8
[M-H]- 268.26457 174.6
[M+NH4]+ 287.30567 192.2
[M+K]+ 308.23501 176.4
[M+H-H2O]+ 252.26911 169.8
[M+HCOO]- 314.27005 192.8
[M+CH3COO]- 328.28570 207.7
[M+Na-2H]- 290.24652 174.1
[M]+ 269.27130 178.5
[M]- 269.27240 178.5
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.