CID 3691229

N-tert-amyl-1,1-dimethylallylamine

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CCC(C)(C)NC(C)(C)C=C

InChI

InChI=1S/C10H21N/c1-7-9(3,4)11-10(5,6)8-2/h7,11H,1,8H2,2-6H3

InChIKey

BMDISKTZXDELHS-UHFFFAOYSA-N

Compound name

2-methyl-N-(2-methylbut-3-en-2-yl)butan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 155.1674 Da
Monoisotopic Mass: 2.5
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]+	156.17468	138.8
[M+Na]+	178.15662	144.7
[M-H]-	154.16012	139.0
[M+NH4]+	173.20122	160.0
[M+K]+	194.13056	143.7
[M+H-H2O]+	138.16466	134.9
[M+HCOO]-	200.16560	159.4
[M+CH3COO]-	214.18125	184.0
[M+Na-2H]-	176.14207	145.4
[M]+	155.16685	139.1
[M]-	155.16795	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe