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	151.3
[M+Na]+	210.99703	160.8
[M-H]-	187.00053	155.3
[M+NH4]+	206.04163	165.5
[M+K]+	226.97097	160.5
[M+H-H2O]+	171.00507	137.5
[M+HCOO]-	233.00601	157.0
[M+CH3COO]-	247.02166	213.5
[M+Na-2H]-	208.98248	151.7
[M]+	188.00726	147.6
[M]-	188.00836	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe