CID 130164474

1-(but-3-yn-1-yl)azetidine

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C#CCCN1CCC1

InChI

InChI=1S/C7H11N/c1-2-3-5-8-6-4-7-8/h1H,3-7H2

InChIKey

QMEULVAOWUGECI-UHFFFAOYSA-N

Compound name

1-but-3-ynylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 109.08915 Da
Monoisotopic Mass: 1.0
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]+	110.096426	113.6
[M+Na]+	132.078368	121.3
[M-H]-	108.081874	114.5
[M+NH4]+	127.122973	127.2
[M+K]+	148.052308	123.4
[M+H-H2O]+	92.086410	98.1
[M+HCOO]-	154.087351	129.2
[M+CH3COO]-	168.103001	182.0
[M+Na-2H]-	130.063816	120.2
[M]+	109.08860142	115.3
[M]-	109.08969858	115.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.