CID 28899

(2-(amidinothio)ethyl)trimethylammonium bromide hydrobromide

Structural Information

Molecular Formula
C6H16N3S
SMILES
C[N+](C)(C)CCSC(=N)N
InChI
InChI=1S/C6H16N3S/c1-9(2,3)4-5-10-6(7)8/h4-5H2,1-3H3,(H3,7,8)/q+1
InChIKey
LTMVFDFUNHZVCZ-UHFFFAOYSA-N
Compound name
2-carbamimidoylsulfanylethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.10649 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11377 129.0
[M+Na]+ 185.09571 134.3
[M-H]- 161.09921 130.4
[M+NH4]+ 180.14031 149.7
[M+K]+ 201.06965 127.8
[M+H-H2O]+ 145.10375 126.1
[M+HCOO]- 207.10469 148.1
[M+CH3COO]- 221.12034 180.0
[M+Na-2H]- 183.08116 135.0
[M]+ 162.10594 126.7
[M]- 162.10704 126.7
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.