CID 9570481

2-trimethylaminoethyl 1'-ethylisothiuronium bromide hydrobromide

Structural Information

Molecular Formula
C8H20N3S
SMILES
CCN/N=C/SCC[N+](C)(C)C
InChI
InChI=1S/C8H20N3S/c1-5-9-10-8-12-7-6-11(2,3)4/h8-9H,5-7H2,1-4H3/q+1/b10-8+
InChIKey
RIUWXEXUYDMXSJ-CSKARUKUSA-N
Compound name
2-[(E)-(ethylhydrazinylidene)methyl]sulfanylethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.13779 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14507 137.6
[M+Na]+ 213.12701 142.9
[M-H]- 189.13051 140.7
[M+NH4]+ 208.17161 158.4
[M+K]+ 229.10095 136.7
[M+H-H2O]+ 173.13505 134.1
[M+HCOO]- 235.13599 159.3
[M+CH3COO]- 249.15164 189.0
[M+Na-2H]- 211.11246 145.3
[M]+ 190.13724 139.7
[M]- 190.13834 139.7
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.