CID 3563411

2-butan-2-ylpyrrolidine;hydrochloride

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCC(C)C1CCCN1

InChI

InChI=1S/C8H17N/c1-3-7(2)8-5-4-6-9-8/h7-9H,3-6H2,1-2H3

InChIKey

KCHJATHVAOQQQV-UHFFFAOYSA-N

Compound name

2-butan-2-ylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 127.1361 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]+	128.14338	130.9
[M+Na]+	150.12532	140.1
[M+NH4]+	145.16992	139.5
[M+K]+	166.09926	136.1
[M-H]-	126.12882	131.4
[M+Na-2H]-	148.11077	134.7
[M]+	127.13555	132.1
[M]-	127.13665	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe