CID 91647812

2-(decylsulfanyl)-4,5-dihydro-1h-imidazole hydrobromide

Structural Information

Molecular Formula
C13H26N2S
SMILES
CCCCCCCCCCSC1=NCCN1
InChI
InChI=1S/C13H26N2S/c1-2-3-4-5-6-7-8-9-12-16-13-14-10-11-15-13/h2-12H2,1H3,(H,14,15)
InChIKey
CHSDMTMIOQSVJL-UHFFFAOYSA-N
Compound name
2-decylsulfanyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.18167 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18895 161.1
[M+Na]+ 265.17089 169.7
[M+NH4]+ 260.21549 168.5
[M+K]+ 281.14483 161.8
[M-H]- 241.17439 161.1
[M+Na-2H]- 263.15634 163.4
[M]+ 242.18112 162.5
[M]- 242.18222 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.