CID 45202

Methyl-bis(beta-dithiocyanoethyl)amine hydrochloride

Structural Information

Molecular Formula
C7H11N3S4
SMILES
CN(CCSSC#N)CCSSC#N
InChI
InChI=1S/C7H11N3S4/c1-10(2-4-11-13-6-8)3-5-12-14-7-9/h2-5H2,1H3
InChIKey
DQMJDPBQVYOSNZ-UHFFFAOYSA-N
Compound name
2-[2-(cyanodisulfanyl)ethyl-methylamino]ethylsulfanyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.98358 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.99086 144.6
[M+Na]+ 287.97280 149.5
[M+NH4]+ 283.01740 146.3
[M+K]+ 303.94674 138.8
[M-H]- 263.97630 136.2
[M+Na-2H]- 285.95825 143.2
[M]+ 264.98303 142.8
[M]- 264.98413 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.