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 159.9
[M+Na]+ 265.17089 164.8
[M-H]- 241.17439 158.2
[M+NH4]+ 260.21549 176.8
[M+K]+ 281.14483 160.7
[M+H-H2O]+ 225.17893 152.3
[M+HCOO]- 287.17987 173.3
[M+CH3COO]- 301.19552 189.7
[M+Na-2H]- 263.15634 158.6
[M]+ 242.18112 162.0
[M]- 242.18222 162.0
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.