CID 103013

Einecs 222-368-3

Structural Information

Molecular Formula

C₄H₁₀N₂O₂S

SMILES

C1CS(=O)(=O)CC1NN

InChI

InChI=1S/C4H10N2O2S/c5-6-4-1-2-9(7,8)3-4/h4,6H,1-3,5H2

InChIKey

DBBOTJJFLMUEIN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 140
Patents: 150.0463 Da
Monoisotopic Mass: -1.4
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]+	151.05358	125.4
[M+Na]+	173.03552	133.4
[M-H]-	149.03902	128.8
[M+NH4]+	168.08012	149.9
[M+K]+	189.00946	131.7
[M+H-H2O]+	133.04356	121.1
[M+HCOO]-	195.04450	146.0
[M+CH3COO]-	209.06015	173.1
[M+Na-2H]-	171.02097	129.4
[M]+	150.04575	123.3
[M]-	150.04685	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe