CID 3016598

N-ethyl-2,2-diisopropylbutanamide

Structural Information

Molecular Formula

C₁₂H₂₅NO

SMILES

CCC(C(C)C)(C(C)C)C(=O)NCC

InChI

InChI=1S/C12H25NO/c1-7-12(9(3)4,10(5)6)11(14)13-8-2/h9-10H,7-8H2,1-6H3,(H,13,14)

InChIKey

PCOMMNVANAQDMV-UHFFFAOYSA-N

Compound name

N,2-diethyl-3-methyl-2-propan-2-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 770
Patents: 199.19362 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]+	200.20090	152.1
[M+Na]+	222.18284	156.3
[M-H]-	198.18634	152.0
[M+NH4]+	217.22744	171.4
[M+K]+	238.15678	156.1
[M+H-H2O]+	182.19088	147.3
[M+HCOO]-	244.19182	171.0
[M+CH3COO]-	258.20747	193.4
[M+Na-2H]-	220.16829	153.2
[M]+	199.19307	153.2
[M]-	199.19417	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe