CID 15655387

Methylneodecanamide

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

4
Annotation Hits: 2
References: 3853
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]+	186.185236	147.9
[M+Na]+	208.167178	152.9
[M-H]-	184.170684	147.7
[M+NH4]+	203.211783	167.9
[M+K]+	224.141118	152.0
[M+H-H2O]+	168.175220	143.0
[M+HCOO]-	230.176161	169.0
[M+CH3COO]-	244.191811	188.7
[M+Na-2H]-	206.152626	152.0
[M]+	185.17741142	149.9
[M]-	185.17850858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe