CID 3033833

Carbamodithioic acid, cyano-

Structural Information

Molecular Formula

C₂H₂N₂S₂

SMILES

C(#N)NC(=S)S

InChI

InChI=1S/C2H2N2S2/c3-1-4-2(5)6/h(H2,4,5,6)

InChIKey

FKTUXVQEOXYNMO-UHFFFAOYSA-N

Compound name

cyanocarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1
References: 1151
Patents: 117.96594 Da
Monoisotopic Mass: 0.8
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	125.4
[M+Na]+	140.95516	135.2
[M-H]-	116.95866	127.6
[M+NH4]+	135.99976	146.1
[M+K]+	156.92910	134.2
[M+H-H2O]+	100.96320	114.3
[M+HCOO]-	162.96414	135.9
[M+CH3COO]-	176.97979	182.8
[M+Na-2H]-	138.94061	127.4
[M]+	117.96539	121.0
[M]-	117.96649	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe