CID 10397135

85694-52-6

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

CC(C)N1CCNS1(=O)=O

InChI

InChI=1S/C5H12N2O2S/c1-5(2)7-4-3-6-10(7,8)9/h5-6H,3-4H2,1-2H3

InChIKey

SFSRUGQYRFPBDD-UHFFFAOYSA-N

Compound name

2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 164.06195 Da
Monoisotopic Mass: -0.2
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]+	165.06923	131.4
[M+Na]+	187.05117	140.2
[M-H]-	163.05467	131.4
[M+NH4]+	182.09577	153.2
[M+K]+	203.02511	138.7
[M+H-H2O]+	147.05921	126.6
[M+HCOO]-	209.06015	145.6
[M+CH3COO]-	223.07580	170.7
[M+Na-2H]-	185.03662	133.0
[M]+	164.06140	130.9
[M]-	164.06250	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe