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 170.7
[M+Na]+ 287.97280 178.8
[M-H]- 263.97630 175.0
[M+NH4]+ 283.01740 182.4
[M+K]+ 303.94674 177.6
[M+H-H2O]+ 247.98084 156.8
[M+HCOO]- 309.98178 168.0
[M+CH3COO]- 323.99743 226.1
[M+Na-2H]- 285.95825 169.3
[M]+ 264.98303 165.1
[M]- 264.98413 165.1
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.