CID 3019000

2-ethyl-n,n-dimethylhexanamide

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

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

InChI

InChI=1S/C10H21NO/c1-5-7-8-9(6-2)10(12)11(3)4/h9H,5-8H2,1-4H3

InChIKey

YVAKVTNKLMUNBR-UHFFFAOYSA-N

Compound name

2-ethyl-N,N-dimethylhexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 171.16231 Da
Monoisotopic Mass: 2.6
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]+	172.169586	143.9
[M+Na]+	194.151528	148.7
[M-H]-	170.155034	145.2
[M+NH4]+	189.196133	164.8
[M+K]+	210.125468	149.6
[M+H-H2O]+	154.159570	138.4
[M+HCOO]-	216.160511	166.4
[M+CH3COO]-	230.176161	189.8
[M+Na-2H]-	192.136976	145.8
[M]+	171.16176142	146.5
[M]-	171.16285858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe