CID 8709

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

Structural Information

Molecular Formula
C16H32N2O
SMILES
CCCCCCCCCCCC1=NCCN1CCO
InChI
InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19/h19H,2-15H2,1H3
InChIKey
QNDGQRJVVZJMJO-UHFFFAOYSA-N
Compound name
2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

250
Patents

268.25146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.25874 171.5
[M+Na]+ 291.24068 175.2
[M-H]- 267.24418 169.2
[M+NH4]+ 286.28528 186.6
[M+K]+ 307.21462 171.5
[M+H-H2O]+ 251.24872 163.0
[M+HCOO]- 313.24966 189.1
[M+CH3COO]- 327.26531 198.7
[M+Na-2H]- 289.22613 171.3
[M]+ 268.25091 174.2
[M]- 268.25201 174.2
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