CID 36843

Eteai

Structural Information

Molecular Formula
C11H24N3S
SMILES
CC[N+](CC)(CC)CCSC1=NCCN1
InChI
InChI=1S/C11H24N3S/c1-4-14(5-2,6-3)9-10-15-11-12-7-8-13-11/h4-10H2,1-3H3,(H,12,13)/q+1
InChIKey
JISXVDSGKWWQRK-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

230.1691 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17638 151.8
[M+Na]+ 253.15832 157.2
[M-H]- 229.16182 152.4
[M+NH4]+ 248.20292 169.5
[M+K]+ 269.13226 149.2
[M+H-H2O]+ 213.16636 147.3
[M+HCOO]- 275.16730 166.3
[M+CH3COO]- 289.18295 185.0
[M+Na-2H]- 251.14377 156.1
[M]+ 230.16855 151.6
[M]- 230.16965 151.6
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.