CID 14240

N,n-dimethyloctanamide

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CCCCCCCC(=O)N(C)C

InChI

InChI=1S/C10H21NO/c1-4-5-6-7-8-9-10(12)11(2)3/h4-9H2,1-3H3

InChIKey

VHRUBWHAOUIMDW-UHFFFAOYSA-N

Compound name

N,N-dimethyloctanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2796
Patents: 171.16231 Da
Monoisotopic Mass: 3.0
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]+	172.16959	143.7
[M+Na]+	194.15153	148.7
[M-H]-	170.15503	144.8
[M+NH4]+	189.19613	164.7
[M+K]+	210.12547	149.1
[M+H-H2O]+	154.15957	138.0
[M+HCOO]-	216.16051	167.1
[M+CH3COO]-	230.17616	188.9
[M+Na-2H]-	192.13698	146.8
[M]+	171.16176	147.0
[M]-	171.16286	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe