CID 59488572

910128-59-5

Structural Information

Molecular Formula

C₁₁H₁₃NO₂S₂

SMILES

CC(=C)C(=O)OCCSSC1=CC=CC=N1

InChI

InChI=1S/C11H13NO2S2/c1-9(2)11(13)14-7-8-15-16-10-5-3-4-6-12-10/h3-6H,1,7-8H2,2H3

InChIKey

SNURDPBGDLYVRE-UHFFFAOYSA-N

Compound name

2-(pyridin-2-yldisulfanyl)ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 255.03877 Da
Monoisotopic Mass: 2.6
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]+	256.04605	153.9
[M+Na]+	278.02799	160.5
[M-H]-	254.03149	155.5
[M+NH4]+	273.07259	169.9
[M+K]+	294.00193	156.1
[M+H-H2O]+	238.03603	146.9
[M+HCOO]-	300.03697	164.2
[M+CH3COO]-	314.05262	191.7
[M+Na-2H]-	276.01344	153.5
[M]+	255.03822	157.9
[M]-	255.03932	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe