CID 3003740

5439-57-6

Structural Information

Molecular Formula

C₄H₈N₂S₆

SMILES

CNC(=S)SSSSC(=S)NC

InChI

InChI=1S/C4H8N2S6/c1-5-3(7)9-11-12-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8)

InChIKey

LGLKIMATEGSGNB-UHFFFAOYSA-N

Compound name

(methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 275.90118 Da
Monoisotopic Mass: 2.2
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]+	276.90846	168.0
[M+Na]+	298.89040	171.4
[M-H]-	274.89390	161.3
[M+NH4]+	293.93500	178.6
[M+K]+	314.86434	156.0
[M+H-H2O]+	258.89844	159.3
[M+HCOO]-	320.89938	154.1
[M+CH3COO]-	334.91503	203.5
[M+Na-2H]-	296.87585	167.7
[M]+	275.90063	154.9
[M]-	275.90173	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe