CID 3087979

2-hydroxy-3-(1-(1h-imidazol-4-yl)pentyl)benzenemethanol

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CCCCC(C1=CC=CC(=C1O)CO)C2=CN=CN2
InChI
InChI=1S/C15H20N2O2/c1-2-3-6-12(14-8-16-10-17-14)13-7-4-5-11(9-18)15(13)19/h4-5,7-8,10,12,18-19H,2-3,6,9H2,1H3,(H,16,17)
InChIKey
MMRYYLAXJRZBFI-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)pentyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

260.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 162.2
[M+Na]+ 283.14169 168.4
[M-H]- 259.14519 162.3
[M+NH4]+ 278.18629 176.0
[M+K]+ 299.11563 163.2
[M+H-H2O]+ 243.14973 154.3
[M+HCOO]- 305.15067 179.3
[M+CH3COO]- 319.16632 189.9
[M+Na-2H]- 281.12714 163.2
[M]+ 260.15192 160.9
[M]- 260.15302 160.9
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

patents stripe