CID 71743870

3-cyclobutylazetidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC(C1)C2CNC2

InChI

InChI=1S/C7H13N/c1-2-6(3-1)7-4-8-5-7/h6-8H,1-5H2

InChIKey

HRTVOKBHNYKMOC-UHFFFAOYSA-N

Compound name

3-cyclobutylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 111.1048 Da
Monoisotopic Mass: 1.5
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]+	112.112076	114.6
[M+Na]+	134.094018	118.2
[M-H]-	110.097524	117.9
[M+NH4]+	129.138623	122.0
[M+K]+	150.067958	122.4
[M+H-H2O]+	94.102060	100.2
[M+HCOO]-	156.103001	131.3
[M+CH3COO]-	170.118651	180.6
[M+Na-2H]-	132.079466	120.6
[M]+	111.10425142	126.2
[M]-	111.10534858	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe