CID 3009819

1-(azetidin-1-yldisulfanyl)azetidine

Structural Information

Molecular Formula

C₆H₁₂N₂S₂

SMILES

C1CN(C1)SSN2CCC2

InChI

InChI=1S/C6H12N2S2/c1-3-7(4-1)9-10-8-5-2-6-8/h1-6H2

InChIKey

IGNAATMLVSPQNV-UHFFFAOYSA-N

Compound name

1-(azetidin-1-yldisulfanyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 176.04419 Da
Monoisotopic Mass: 1.6
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]+	177.05147	113.2
[M+Na]+	199.03341	115.3
[M-H]-	175.03691	115.1
[M+NH4]+	194.07801	117.6
[M+K]+	215.00735	119.0
[M+H-H2O]+	159.04145	95.5
[M+HCOO]-	221.04239	120.0
[M+CH3COO]-	235.05804	190.4
[M+Na-2H]-	197.01886	114.3
[M]+	176.04364	128.1
[M]-	176.04474	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe