CID 12426736

Tert-butyl(propyl)amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCCNC(C)(C)C

InChI

InChI=1S/C7H17N/c1-5-6-8-7(2,3)4/h8H,5-6H2,1-4H3

InChIKey

LJQGARKSJMMQBX-UHFFFAOYSA-N

Compound name

2-methyl-N-propylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1525
Patents: 115.1361 Da
Monoisotopic Mass: 1.7
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]+	116.14338	126.9
[M+Na]+	138.12532	136.8
[M+NH4]+	133.16992	135.5
[M+K]+	154.09926	131.2
[M-H]-	114.12882	127.2
[M+Na-2H]-	136.11077	131.5
[M]+	115.13555	128.3
[M]-	115.13665	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe