CID 20677488

2377031-98-4

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CCC=C1CNC1

InChI

InChI=1S/C6H11N/c1-2-3-6-4-7-5-6/h3,7H,2,4-5H2,1H3

InChIKey

LUTXKHZVFHPVLM-UHFFFAOYSA-N

Compound name

3-propylideneazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 97.08915 Da
Monoisotopic Mass: 0.3
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]+	98.096426	119.3
[M+Na]+	120.07837	125.7
[M+NH4]+	115.12297	123.9
[M+K]+	136.05231	121.7
[M-H]-	96.081874	117.2
[M+Na-2H]-	118.06382	122.1
[M]+	97.088601	118.2
[M]-	97.089699	118.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe