CID 20565975

Fema 4603

Structural Information

Molecular Formula

C₁₂H₂₅NO₂

SMILES

CCC(CC)(CC)C(=O)NC(C)(C)CO

InChI

InChI=1S/C12H25NO2/c1-6-12(7-2,8-3)10(15)13-11(4,5)9-14/h14H,6-9H2,1-5H3,(H,13,15)

InChIKey

DAEKQBAKLXIBNG-UHFFFAOYSA-N

Compound name

2,2-diethyl-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 227
Patents: 215.18852 Da
Monoisotopic Mass: 1.9
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]+	216.19580	155.0
[M+Na]+	238.17774	159.4
[M-H]-	214.18124	153.5
[M+NH4]+	233.22234	173.0
[M+K]+	254.15168	158.4
[M+H-H2O]+	198.18578	150.6
[M+HCOO]-	260.18672	172.9
[M+CH3COO]-	274.20237	191.5
[M+Na-2H]-	236.16319	159.0
[M]+	215.18797	156.3
[M]-	215.18907	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe