CID 68168893

3-pentan-3-ylazetidine;hydrochloride

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCC(CC)C1CNC1

InChI

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

InChIKey

PJGLBIHRBSHOGA-UHFFFAOYSA-N

Compound name

3-pentan-3-ylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 127.1361 Da
Monoisotopic Mass: 2.2
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	129.7
[M+Na]+	150.12532	135.3
[M+NH4]+	145.16992	134.1
[M+K]+	166.09926	131.6
[M-H]-	126.12882	127.5
[M+Na-2H]-	148.11077	131.6
[M]+	127.13555	128.5
[M]-	127.13665	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe