CID 112187

N,n,2-triethylhexanamide

Structural Information

Molecular Formula

C₁₂H₂₅NO

SMILES

CCCCC(CC)C(=O)N(CC)CC

InChI

InChI=1S/C12H25NO/c1-5-9-10-11(6-2)12(14)13(7-3)8-4/h11H,5-10H2,1-4H3

InChIKey

LYGCLXFQIQORSE-UHFFFAOYSA-N

Compound name

N,N,2-triethylhexanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 30
Patents: 199.19362 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.200896	153.3
[M+Na]+	222.182838	157.3
[M-H]-	198.186344	154.2
[M+NH4]+	217.227443	173.1
[M+K]+	238.156778	157.7
[M+H-H2O]+	182.190880	147.4
[M+HCOO]-	244.191821	175.1
[M+CH3COO]-	258.207471	195.8
[M+Na-2H]-	220.168286	154.1
[M]+	199.19307142	156.7
[M]-	199.19416858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe