CID 22772

Methylene dithiocyanate

Structural Information

Molecular Formula

C₃H₂N₂S₂

SMILES

C(SC#N)SC#N

InChI

InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2

InChIKey

JWZXKXIUSSIAMR-UHFFFAOYSA-N

Compound name

thiocyanatomethyl thiocyanate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 12
References: 6702
Patents: 129.96594 Da
Monoisotopic Mass: 1.7
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]+	130.97322	142.6
[M+Na]+	152.95516	153.1
[M-H]-	128.95866	147.0
[M+NH4]+	147.99976	158.3
[M+K]+	168.92910	152.9
[M+H-H2O]+	112.96320	129.2
[M+HCOO]-	174.96414	148.7
[M+CH3COO]-	188.97979	206.7
[M+Na-2H]-	150.94061	143.6
[M]+	129.96539	137.3
[M]-	129.96649	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe