CID 130510864

2418720-10-0

Structural Information

Molecular Formula

SMILES

C#CCC1CNC1

InChI

InChI=1S/C6H9N/c1-2-3-6-4-7-5-6/h1,6-7H,3-5H2

InChIKey

JUGWORXESDWGEC-UHFFFAOYSA-N

Compound name

3-prop-2-ynylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 95.0735 Da
Monoisotopic Mass: 0.4
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]+	96.080776	119.5
[M+Na]+	118.06272	126.4
[M+NH4]+	113.10732	121.2
[M+K]+	134.03666	119.7
[M-H]-	94.066224	110.3
[M+Na-2H]-	116.04817	120.1
[M]+	95.072951	115.9
[M]-	95.074049	115.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.