CID 28901

2-(2'-trimethylaminoethylthio)imidazoline bromide hydrobromide

Structural Information

Molecular Formula
C8H18N3S
SMILES
C[N+](C)(C)CCSC1=NCCN1
InChI
InChI=1S/C8H18N3S/c1-11(2,3)6-7-12-8-9-4-5-10-8/h4-7H2,1-3H3,(H,9,10)/q+1
InChIKey
QDQDLBJBHMSUHL-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12215 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12943 138.5
[M+Na]+ 211.11137 145.3
[M-H]- 187.11487 139.6
[M+NH4]+ 206.15597 157.9
[M+K]+ 227.08531 138.0
[M+H-H2O]+ 171.11941 134.6
[M+HCOO]- 233.12035 154.0
[M+CH3COO]- 247.13600 175.9
[M+Na-2H]- 209.09682 144.2
[M]+ 188.12160 137.3
[M]- 188.12270 137.3
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.