CID 3960878

Schembl10901185

Structural Information

Molecular Formula

C₂H₂N₂S₂

SMILES

C(=N)=NC(=S)S

InChI

InChI=1S/C2H2N2S2/c3-1-4-2(5)6/h3H,(H,5,6)

InChIKey

FFVIQESJUBXDNZ-UHFFFAOYSA-N

Compound name

iminomethylidenecarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 117.96594 Da
Monoisotopic Mass: 2.2
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]+	118.97322	118.0
[M+Na]+	140.95516	126.1
[M-H]-	116.95866	120.0
[M+NH4]+	135.99976	140.8
[M+K]+	156.92910	123.1
[M+H-H2O]+	100.96320	112.5
[M+HCOO]-	162.96414	133.9
[M+CH3COO]-	176.97979	173.0
[M+Na-2H]-	138.94061	120.7
[M]+	117.96539	117.6
[M]-	117.96649	117.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.