CID 15655387

Neodecanamide, n-methyl-

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

CCCCCC(C)(CC)C(=O)NC

InChI

InChI=1S/C11H23NO/c1-5-7-8-9-11(3,6-2)10(13)12-4/h5-9H2,1-4H3,(H,12,13)

InChIKey

FDFPSNISSMYYDS-UHFFFAOYSA-N

Compound name

2-ethyl-N,2-dimethylheptanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 4944
Patents: 185.17796 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]+	186.18524	147.9
[M+Na]+	208.16718	152.9
[M-H]-	184.17068	147.7
[M+NH4]+	203.21178	167.9
[M+K]+	224.14112	152.0
[M+H-H2O]+	168.17522	143.0
[M+HCOO]-	230.17616	169.0
[M+CH3COO]-	244.19181	188.7
[M+Na-2H]-	206.15263	152.0
[M]+	185.17741	149.9
[M]-	185.17851	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe