CID 120329

689-85-0

Structural Information

Molecular Formula

C₄H₈N₂O₂S

SMILES

CC(=O)NNC(=O)CS

InChI

InChI=1S/C4H8N2O2S/c1-3(7)5-6-4(8)2-9/h9H,2H2,1H3,(H,5,7)(H,6,8)

InChIKey

LXWOWUDWPFACAJ-UHFFFAOYSA-N

Compound name

N'-acetyl-2-sulfanylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 148.03065 Da
Monoisotopic Mass: -0.6
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]+	149.03793	129.5
[M+Na]+	171.01987	135.8
[M-H]-	147.02337	130.1
[M+NH4]+	166.06447	150.5
[M+K]+	186.99381	135.2
[M+H-H2O]+	131.02791	123.9
[M+HCOO]-	193.02885	149.0
[M+CH3COO]-	207.04450	176.5
[M+Na-2H]-	169.00532	132.2
[M]+	148.03010	130.2
[M]-	148.03120	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.