CID 3056928

73908-99-3

Structural Information

Molecular Formula

C₆H₁₀N₂S₂

SMILES

CCN(CC)C(=S)SC#N

InChI

InChI=1S/C6H10N2S2/c1-3-8(4-2)6(9)10-5-7/h3-4H2,1-2H3

InChIKey

RHWXMBGBCGRCBH-UHFFFAOYSA-N

Compound name

cyano N,N-diethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 174.02853 Da
Monoisotopic Mass: 2.1
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]+	175.03581	140.7
[M+Na]+	197.01775	149.2
[M-H]-	173.02125	143.7
[M+NH4]+	192.06235	160.1
[M+K]+	212.99169	148.4
[M+H-H2O]+	157.02579	128.7
[M+HCOO]-	219.02673	150.5
[M+CH3COO]-	233.04238	195.9
[M+Na-2H]-	195.00320	140.6
[M]+	174.02798	138.6
[M]-	174.02908	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe