CID 547435

N-tert-amyl-1,1-dimethylpropargylamine

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

CCC(C)(C)NC(C)(C)C#C

InChI

InChI=1S/C10H19N/c1-7-9(3,4)11-10(5,6)8-2/h1,11H,8H2,2-6H3

InChIKey

QZIVTSHQTWUMNU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 153.15175 Da
Monoisotopic Mass: 2.0
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]+	154.15903	140.9
[M+Na]+	176.14097	148.8
[M-H]-	152.14447	140.8
[M+NH4]+	171.18557	159.9
[M+K]+	192.11491	147.6
[M+H-H2O]+	136.14901	131.0
[M+HCOO]-	198.14995	156.1
[M+CH3COO]-	212.16560	191.2
[M+Na-2H]-	174.12642	146.3
[M]+	153.15120	136.0
[M]-	153.15230	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe