CID 51282

2-dodecyl-4,5-dihydro-1h-imidazole-1-ethanol

Structural Information

Molecular Formula
C17H34N2O
SMILES
CCCCCCCCCCCCC1=NCCN1CCO
InChI
InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-18-13-14-19(17)15-16-20/h20H,2-16H2,1H3
InChIKey
IGRVZEVKOQUHMQ-UHFFFAOYSA-N
Compound name
2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

179
Patents

282.26712 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.274396 175.9
[M+Na]+ 305.256338 179.2
[M-H]- 281.259844 173.4
[M+NH4]+ 300.300943 190.4
[M+K]+ 321.230278 175.2
[M+H-H2O]+ 265.264380 167.2
[M+HCOO]- 327.265321 193.1
[M+CH3COO]- 341.280971 201.6
[M+Na-2H]- 303.241786 175.2
[M]+ 282.26657142 178.9
[M]- 282.26766858 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe