CID 131204237

(but-3-yn-1-yl)(tert-butyl)methylamine hydrochloride

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC(C)(C)N(C)CCC#C

InChI

InChI=1S/C9H17N/c1-6-7-8-10(5)9(2,3)4/h1H,7-8H2,2-5H3

InChIKey

HLDTXIYNSAXBDF-UHFFFAOYSA-N

Compound name

N-but-3-ynyl-N,2-dimethylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 139.1361 Da
Monoisotopic Mass: 1.8
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]+	140.14338	132.9
[M+Na]+	162.12532	142.7
[M+NH4]+	157.16992	137.7
[M+K]+	178.09926	134.5
[M-H]-	138.12882	125.5
[M+Na-2H]-	160.11077	134.6
[M]+	139.13555	131.3
[M]-	139.13665	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe