CID 72024489

1436086-32-6

Structural Information

Molecular Formula

C₉H₁₅N₃O₂S₂

SMILES

CC1=NC(=CN1C)S(=O)(=O)N2CCSCC2

InChI

InChI=1S/C9H15N3O2S2/c1-8-10-9(7-11(8)2)16(13,14)12-3-5-15-6-4-12/h7H,3-6H2,1-2H3

InChIKey

SXVNZWVFGBJPCS-UHFFFAOYSA-N

Compound name

4-(1,2-dimethylimidazol-4-yl)sulfonylthiomorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 261.06058 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]+	262.06786	157.1
[M+Na]+	284.04980	166.2
[M-H]-	260.05330	159.9
[M+NH4]+	279.09440	172.7
[M+K]+	300.02374	162.2
[M+H-H2O]+	244.05784	150.5
[M+HCOO]-	306.05878	164.7
[M+CH3COO]-	320.07443	189.8
[M+Na-2H]-	282.03525	156.1
[M]+	261.06003	157.6
[M]-	261.06113	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.