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: 1
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]+	165.069226	127.7
[M+Na]+	187.051168	136.1
[M-H]-	163.054674	131.2
[M+NH4]+	182.095773	153.6
[M+K]+	203.025108	134.3
[M+H-H2O]+	147.059210	124.4
[M+HCOO]-	209.060151	147.9
[M+CH3COO]-	223.075801	175.9
[M+Na-2H]-	185.036616	132.9
[M]+	164.06140142	126.4
[M]-	164.06249858	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe