CID 4737809

935-24-0

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

CC1(CCS(=O)(=O)C1)NN

InChI

InChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3

InChIKey

GQBCUVUIZMAQCO-UHFFFAOYSA-N

Compound name

(3-methyl-1,1-dioxothiolan-3-yl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.06195 Da
Monoisotopic Mass: -1.2
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	127.7
[M+Na]+	187.05117	136.1
[M-H]-	163.05467	131.2
[M+NH4]+	182.09577	153.6
[M+K]+	203.02511	134.3
[M+H-H2O]+	147.05921	124.4
[M+HCOO]-	209.06015	147.9
[M+CH3COO]-	223.07580	175.9
[M+Na-2H]-	185.03662	132.9
[M]+	164.06140	126.4
[M]-	164.06250	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe