CID 62544

Bis(2-thiocyanatoethyl) ether

Structural Information

Molecular Formula

C₆H₈N₂OS₂

SMILES

C(CSC#N)OCCSC#N

InChI

InChI=1S/C6H8N2OS2/c7-5-10-3-1-9-2-4-11-6-8/h1-4H2

InChIKey

LWQHJELPBKVFOH-UHFFFAOYSA-N

Compound name

2-(2-thiocyanatoethoxy)ethyl thiocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 188.00781 Da
Monoisotopic Mass: 1.5
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]+	189.01509	148.2
[M+Na]+	210.99703	154.9
[M+NH4]+	206.04163	149.5
[M+K]+	226.97097	143.9
[M-H]-	187.00053	137.9
[M+Na-2H]-	208.98248	146.7
[M]+	188.00726	145.5
[M]-	188.00836	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe