CID 3076610

Alpha-((1h-imidazol-4-ylmethoxy)methyl)benzenemethanol

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1=CC=C(C=C1)C(COCC2=CN=CN2)O
InChI
InChI=1S/C12H14N2O2/c15-12(10-4-2-1-3-5-10)8-16-7-11-6-13-9-14-11/h1-6,9,12,15H,7-8H2,(H,13,14)
InChIKey
NLVRITBVDZRLNN-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-ylmethoxy)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

218.10553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 149.5
[M+Na]+ 241.09475 160.9
[M+NH4]+ 236.13935 156.5
[M+K]+ 257.06869 157.0
[M-H]- 217.09825 150.7
[M+Na-2H]- 239.08020 156.4
[M]+ 218.10498 151.2
[M]- 218.10608 151.2
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