CID 16226728

515169-85-4

Structural Information

Molecular Formula

C₆H₁₂N₂O₃S

SMILES

C1CS(=O)(=O)CC1CC(=O)NN

InChI

InChI=1S/C6H12N2O3S/c7-8-6(9)3-5-1-2-12(10,11)4-5/h5H,1-4,7H2,(H,8,9)

InChIKey

BHPBLQYIHLJARH-UHFFFAOYSA-N

Compound name

2-(1,1-dioxothiolan-3-yl)acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 192.05687 Da
Monoisotopic Mass: -1.5
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]+	193.06415	137.3
[M+Na]+	215.04609	144.2
[M-H]-	191.04959	140.4
[M+NH4]+	210.09069	159.9
[M+K]+	231.02003	142.5
[M+H-H2O]+	175.05413	132.7
[M+HCOO]-	237.05507	156.6
[M+CH3COO]-	251.07072	180.7
[M+Na-2H]-	213.03154	139.4
[M]+	192.05632	135.9
[M]-	192.05742	135.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.